Dr Ian Hamerton

Reader in Polymer Chemistry

Qualifications: BSc Honours Chemistry, Associateship of the University of Surrey (AUS), PhD Polymer Chemistry, Chartered Chemist (CChem), Fellow of the Royal Society of Chemistry (FRSC)

Email:
Phone: Work: 01483 68 9587
Room no: 31 AZ 03

Further information

Biography

Dr Ian Hamerton graduated from the University of Surrey in 1987 having completed a 4-year BSc (Honours) Chemistry programme including a year of professional training (spent in the analytical laboratories of the Elastomers Division of Esso Chemicals Ltd. at Fawley near Southampton).  His PhD was also obtained from Surrey (1987-1990) with sponsorship from the US Navy (designing surface acoustic wave sensors) and the Ministry of Defence (high temperature polymers).  He carried out postdoctoral research based at the Royal Aircraft Establishment (later DRA/DERA at Farnborough) on the development of toughened high temperature polymer composites based on bismaleimides and cyanate esters, before joining the Department in 1991. Dr Hamerton is currently a Reader in Polymer Chemistry.

Married with two sons and a Welsh Springer Spaniel, Ian has varied interests outside of Chemistry.  These include modern jazz and be-bop (as a double bass player) and classic Jaguar cars (having owned both 3.4 and 3.8 Mk II Jaguars and a Sunbeam Alpine Series V), pre-Raphaelite art, and the Arts and Crafts Movement. Ian was previously both the Vice Chairman and later Chairman of the Society for the Arts and Crafts Movement in Surrey and is now the Honorary President of the C.F.A. Voysey Society - Ian and his family are fortunate to have lived in an arts and crafts lodge house designed by C.F.A. Voysey.

In 2005, Ian was the editor and principal author of ‘W.A.S. Benson: Luminary of the Arts and Crafts Movement and Pioneer of Modern Design’, the first book (published in March 2005 by Antique Collectors’ Club) to deal with this enigmatic architect and designer.  Ian has lectured widely on not only this topic, but also C.F.A. Voysey, M.H. Baillie Scott, Archibald Knox and other figures within the Arts and Crafts Movement to learned societies and the general public.

Research Interests

My research is concerned with developing polymeric materials with improved performance suitable for use in demanding environments and technologically relevant applications (e.g. satellites, military and civil aerospace, high performance automotive applications, micro-/opto-electrionics and polymer filters).  This may take the form of novel synthesis (of monomers) or blending of existing commercial materials.  To gain the best out of these materials, it is of key importance to understand the structures that they form (in terms of the bonds they form or the 3-dimensional structures that they adopt) so that these might be subtly improved.  Our group employs cutting edge techniques to combine state of the art computer modelling and simulation techniques, with sophisticated analysis (at the atomic or molecular level through spectroscopy or at the macroscopic scale through thermo-mechanical techniques).  Computer simulation requires the use of software both developed by us, e.g. in the kinetic modelling of polymer cure and commercial packages e.g. in the calculation of the physical and mechanical properties of synthetic polymers.


To gain insight into how the chemical structure of a polymer affects its physical and mechanical properties, we have been using molecular modelling to build models of the polymers we are studying and have calculated experimentally measurable parameters e.g. the Young's Modulus of Elasticity, which we have then determined experimentally. The comparison between the calculated and experimental values allows validation of the molecular models. Systems studied include crystalline polyethylene, polyethersulphones and linear epoxy resins, prediction of the physical and mechanical properties of network forming cyanate ester resins, the interaction of resins with carbon fibre surfaces and evaluation of the accuracy of the prediction of polymer structures with specific infra-red characteristics. Recently, our interests have expanded to include conducting polymers, e.g. poly(p-phenylene) and polypyrrole and nanocomposites based on epoxy-POSS blends.


Introducing or Enhancing the Functionality of Polymer Composites and Nanocomposites
Several recent projects have been carried out to enhance or impart electrical or thermal conductivity of carbon fibre reinforced polymer composites (to improve the electrical static discharge properties or to reduce the effects of lightning strike).  Examples of this include projects sponsored by Astrium (for satellite applications) and Bombardier (civil aerospace).  Both projects have utilised carbon nanotubes (CNTs) – either dispersed in the polymer matrix in the former or deposited on the carbon fibres in the latter (T R Pozegic, I Hamerton, S R P Silva (2014). Low temperature growth of carbon nanotubes on carbon fibre to create a highly networked fuzzy fibre reinforced composite with superior electrical conductivity, Carbon, 74, 319-328).  A most promising development involving hydrophobic epoxy resins and diamond like coatings has also led to two patent applications (I Hamerton, W Tang, J V Anguita, S R P Silva (2013). Towards the rational design of polymers using molecular simulation: predicting the effect of cure schedule on thermo-mechanical properties for a cycloaliphatic amine-cured epoxy resin, Reactive and Functional Polymers, 74, 1-15).

Developing Novel Monomers and Polymers
Given the costs and timescales involved in the qualification of new materials for many technological applications, there is a much greater emphasis placed on optimising properties of existing polymers.  Consequently, we have carried out many projects (with Lonza, Cytec, Huntsman, and Dstl to name but a few) to examine the effects of blending with other polymers or introducing various additives (such as clay, CNTs or POSS reagents) to form nanocomposites.   However, in some cases, the need to make a paradigm shift beyond the limitations of existing materials requires new building blocks and we have the capability to synthesise and characterise new monomers and polymers from small (< 1g) to large (500 g) scale.

Examining Polymer Stability and Degradation Mechanisms
Several projects have focused on the development of polymers/nanocomposites (e.g. based on phenylethynyl terminated imides, cyanate ester resins, and bismaleimides) with extended lifetimes at elevated temperatures.  Equally, where exposure to radiation might be expected (in extra-terrestrial applications) then the incorporation of POSS to improve resistance to UV radiation or atomic oxygen has been explored.  Inevitably in some circumstances, polymers will undergo some degradation and we have most recently examined the kinetics and mechanisms of the thermal degradation of polybenzoxazines and cyanate ester resins (A Baggott, J R Bass, I Hamerton, B J Howlin, L Mooring, D Sparks, S J Shaw, C A Stone (2014). At the limits of simulation: A new method to predict thermal degradation behaviour in cyanate esters and nanocomposites using molecular dynamics simulation, Macromolecular Theory and Simulations, 23, 369-372, cover article).

Materials in Cultural Heritage
This has long been an interest of mine and I always relish the chance to examine historical artefacts.  Consequently, a number of projects have been conducted including: examining pigments and binders on the ceiling of the Queen’s Staircase (Hampton Court Palace), assessing the remnant lifetime in sailcloth from the H.M.S. Victory, determining degradation in historical manuscripts and in Bakelite objects.  This work ties in well with my interests in examining/predicting polymer ageing.

 

Research projects

Sponsor: McLaren Automotive
Title: Carbon fibre based compression moulding compounds in automotive applications
Start Date / End Date: October 2014 / September 2018

Sponsor: Pall Europe
Title: Examining materials for filter systems
Start Date / End Date: January 2011 / December 2015

Sponsor: Dstl
Title: Preparation and characterisation of bisphenol C dicyanate and comparison with bisphenol A dicyanate
Start Date / End Date: January 2011 / December 2012

Sponsor: Cytec Engineered Materials
Title: Development of novel modelling software
Start Date / End Date: October 2011 / September 2012

Sponsor: Art Access and Research
Title: Nanoscale analysis of artists’ materials and techniques in relation to historical sources and trade
Start Date / End Date: October 2010 / September 2011

Sponsor: Lonza
Title: Improvement in cyanate ester properties by blending
Start Date / End Date: January 2010 / December 2013

Sponsor: Huntsman Advanced Materials/MARA
Title: Improvement in key properties in polybenzoxazines for microelectronic applications
Start Date / End Date: October 2010 / August 2014

Sponsor: Dstl
Title: Novel materials for ablative coatings
Start Date / End Date: November 2010 / October 2013

Sponsor: BASF
Title: Examination of reaction mechanism and structure-property relationships of new catalysts for epoxy resins
Start Date / End Date: October 2010 / September 2013

Sponsor: Astrium
Title: Moisture barrier layer coatings
Start Date / End Date: October 2010 / September 2013

Sponsor: Indestructible
Title: Developing new high performance paints and coatings
Start Date / End Date: October 2010 / September 2014

Sponsor: Cytec Engineered Materials/ Engineering and Physical Sciences Research Council
Title: Development of novel toughened poly(benzoxazine)s
Start Date / End Date: October 2009 / September 2012

Sponsor: Engineering and Physical Sciences Research Council/RAL
Title: Computer simulation of polymers and proteins (35,000 CPU hours)
Start Date / End Date: March 2008 / February 2009

Sponsor: Cytec Engineered Materials
Title: Modelling the properties of thermoset polymers
Start Date / End Date: October 2007 / September 2010

Sponsor: Engineering and Physical Sciences Research Council
Title: Qualifying the sustainable use of materials in electrical and electronic products
Start Date / End Date: October 2005 / September 2008

Sponsor: Engineering and Physical Sciences Research Council
Title: Network for the sustainable use of materials in electrical and electronic products (SUMEEP)
Start Date / End Date: October 2005 / September 2006

Sponsor: Siemens Westinghouse Power Corporation
Title: New insulation materials for turbogenerators
Start Date / End Date: October 2004 / September 2007

Sponsor: Siemens Westinghouse Power Corporation
Title: Assessment of existing GVPI insulation materials for turbogenerators
Start Date / End Date: October 2004 / September 2005

Sponsor: Hitachi Chemical Co. Ltd.
Title: Improving the toughness of benzoxazine compounds
Start Date / End Date: October 2003 / September 2006

Sponsor: University of Surrey Environmental Body
Title: Recovery and recycling of waste electronic circuit boards
Start Date / End Date: October 2001 / September 2002

Sponsor: Defence Evaluation Research Agency
Title: The large-scale preparation of novel fire retardant matrices for analysis
Start Date / End Date: October 2000 / September 2001

Sponsor: Astra Zeneca
Title: Metalloporphyrin-catalysed epoxidation using hydrogen peroxide
Start Date / End Date: October 1998 / September 2001

Sponsor: Defence Evaluation Research Agency
Title: Synthesis of epoxy core-PMMA shell particles
Start Date / End Date: October 1999 / September 2000

Sponsor: Defence Evaluation Research Agency
Title: Development of novel fire retardant matrices
Start Date / End Date: October 1999 / September 2000

Sponsor: Cytec Fiberite Ltd.
Title: Development of novel curing agents for epoxy resins
Start Date / End Date: October 1998 / September 2001

Sponsor: Hitachi Chemical Co. Ltd.
Title: Investigation of stress in cyanate ester systems
Start Date / End Date: October 1999 / September 2002

Sponsor: Defence Evaluation Research Agency
Title: Synthesis of terminally reactive polymers for ultra-high temperature applications
Start Date / End Date: October 1998 / September 2001

Sponsor: Defence Evaluation Research Agency
Title: The synthesis of responsive side group polymers
Start Date / End Date: October 1998 / September 2001

Sponsor: Hitachi Chemical Co. Ltd.
Title: Novel toughened cyanate ester/bismaleimide polymers
Start Date / End Date: October 1998 / September 1999

Sponsor: Engineering and Physical Sciences Research Council
Title: Polymer and composite processing using electron and proton beams
Start Date / End Date: October 1998 / September 2001

Sponsor: De La Rue
Title: Water soluble cross-linking conducting polymers
Start Date / End Date: October 1998 / September 1999

Sponsor: Defence Evaluation Research Agency
Title: Synthesis and characterisation of ultra-high temperature cyanate ester polymers
Start Date / End Date: October 1997 / September 2000

Sponsor: Engineering and Physical Sciences Research Council
Title: A feasibility study on the microwave sintering of high-value waste thermosets and composites
Start Date / End Date: October 1997 / September 1999

Sponsor: Engineering and Physical Sciences Research Council
Title: Application of new sol gel technology to radio-analytical chemistry
Start Date / End Date: October 1996 / September 1998

Sponsor: Cookson Technology Ltd./Engineering and Physical Sciences Research Council
Title: Development of novel metal complexed curing agents for epoxy resins
Start Date / End Date: October 1995 / September 1998

Sponsor: Defence Evaluation Research Agency
Title: Development of novel high temperature polymeric materials for composite applications
Start Date / End Date: October 1995 / September 1996

Sponsor: British Aerospace/ Engineering and Physical Sciences Research Council
Title: An examination of characteristics of the interphase region in carbon fibre composites
Start Date / End Date: October 1995 / September 1998

Sponsor: Defence Research Agency/Royal Society
Title: Epoxy-chelate matrix resins
Start Date / End Date: October 1994 / September 1997

Sponsor: Defence Research Agency
Title: Binders for low observable pigments
Start Date / End Date: October 1993 / September 1996

Sponsor: Engineering and Physical Sciences Research Council
Title: Predictive modelling of industrial composites based on synthesis, simulation and NMR studies of interfaces
Start Date / End Date: October 1993 / September 1996

Sponsor: Coates-Lorilleux Ltd.
Title: Chemical models of crosslinking polymers
Start Date / End Date: October 1992 / September 1995

Sponsor: Science and Engineering Research Council
Title: Structure, property and modelling studies of a linear epoxy polymer
Start Date / End Date: October 1991 / September 1994

Sponsor: Science and Engineering Research Council
Title: Structure, property and modelling studies of cyanate esters
Start Date / End Date: October 1991 / September 1994

Sponsor: National Power plc/ The National Grid Co.
Title: The degradation of electrical paper insulation in power transformers
Start Date / End Date: October 1992 / September 1997

Sponsor: Science and Engineering Research Council
Title: Use of model compounds to investigate polymerization mechanisms of alkenyl-substituted cyanate esters
Start Date / End Date: October 1992 / September 1995

Sponsor: Defence Research Agency
Title: Novel matrix resins and composites
Start Date / End Date: October 1991 / September 1994

Current Researchers

Dr Stephen Hall (funded by Ministry of Defence)

Dr Grace Edmund (funded by Ministry of Defence)

Dr Winnie Tang

Ms. Fiona Binks, PhD 2010- (funded by BASF and Marion Redfearn Trust)

Miss. Wan Aminah Wan Hassan PhD 2010- (Huntsman Advanced Materials/MARA)

Mr Chris White, EngD 2010- (funded by Indestructible)

Miss. Weronika Swiech EngD 2010- (funded by BP USA)

Ms. Emily Smith, EngD 2010- (funded by Pall Europe)

Mr Thomas Pozegic, PhD 2011- (funded by Bombardier)

Ms. Maryam Sairi, PhD 2013- (funded by MARA)

Mr Sam Kite, EngD 2014- (funded by McLaren Automotive)

Research Students Supervised

PhD:

W Tang, “Examining the effects of nanomaterials in epoxy systems for satellite structures”, 2010-2014 (Astrium)

AO Crawford, “Novel cyanate ester blends”, 2011-2014 (Lonza)

S Thompson, “Examining the thermal degradation of polybenzoxazines and their resultant chars”, 2010-2013 (Dstl)

LT McNamara, “Characterisation of a selection of commercial benzoxazines and novel toughening strategies”, 2009-2012 (Cytec)

SA Hall, “Thermoset modelling and simulation analysis, with a focus towards epoxies” 2009-2012 (Cytec)

AL Mitchell, “Synthesis, thermal and mechanical analysis, and molecular modelling of novel bisbenzoxazines resin systems” 2003-2006 (Hitachi Chemical Co. Ltd.)

P Klewpatinond, “Synthesis, thermal and mechanical analysis, and molecular modelling of novel cyanate etser resin systems” 2002-2005 Hitachi Chemical Co. Ltd.)

S Hill, “Molecular modelling and synthesis of substituted poly(p-phenylene)s 2001-2004 (De La Rue)

PM O’Gara, “Electron beam cure of high-temperature resistant polymers” 2000-2003 (EPSRC/BAE Systems)

JC Elliott, “The synthesis of responsive side group polymers” 1999-2002 (DERA)

MA Pullinger, “Synthesis and characterisation of novel polymeric materials for high temperature composite applications” 1999-2002 (DERA)

P Jepson, “Development of novel curing agents for epoxy resins” 1998-2001 (Cytec Fiberite Ltd.)

AN Georgiades, “Synthesis and characterisation of novel high temperature polyimides” 1998-2001 (DERA)

S Gunathilagan, “Metalloporphyrin-catalysed epoxidation using hydrogen peroxide” 1998-2001 (Astra Zeneca)

I Rabias, “Theoretical and computational modelling studies of conducting polymers” 1996-1999

J Brown, “Development of novel metal complexed curing agents for epoxy resins” 1995-1998 (EPSRC/Cookson Technology Ltd.)

RD Allington, “Analysis and modelling of interfacial phenomena in carbon fibre-thermoset composites” 1995-1998 (EPSRC/British Aerospace)

DA Tilbrook, “Development of novel polymeric binders” 1994-1997 (DRA)

S Liu, “The development of novel curing agents for epoxy resins” 1993-1996 (Royal Society/DRA)

CP Thompson, “Chemical models of crosslinking polymers” 1992-1995 (Coates-Lorilleux Ltd.)

AS Deazle, “Structure, property and modelling studies of a linear epoxy polymer” 1991-1994 (SERC)

CR Heald, “Structure, property and modelling studies of crosslinked polycyanurates” 1991-1994 (SERC)

A Chaplin, “Novel matrix resins and composites” 1991-1994 (DRA)

MRes/MSc:

L Silver, “Novel phosphorus containing polybenzoxazines”, 2013-2014

S-YC Yeung, “Synthesis, characterisation and molecular simulation of four low molecular weight engineering thermoplastics” 2011-2012

WA Wan Hassan, “Developing toughened bisbenzoxazine polymers for advanced structural composites” 2009-2010

W Tang, “Identification of pigments and organic media of the ceiling of the Queen’s staircase, Hampton Court Palace”, 2009-2010

B Jiang, “Studies on the gelation of selected polysaccharides, using spectral and modelling techniques for their proposed use in automotive applications” 2004-2005

P Klewpatinond, “Investigation of novel cyanate ester resin systems” 2000-2001 (Hitachi Chemical Co. Ltd.)

J Pérez Amorós, “Synthesis of core (epoxy)-shell (PMMA) particles” 2000-2001 (DERA)

R Mayl, “Examination of pigments and binders using HDR spectroscopy” 1997-1998 (DRA)

Research Associates/Postdoctoral Researchers

Dr W Tang (2014-)
Dr G Edmund (2014-)
Dr S Hall (2011-)
Dr L Mooring (2011-2012)
Dr JV Anguita (2010-)
Dr P Blackett (2001-2002)
Dr S Takeda (1999-2000)
Dr G Howgate (1998-2001)
Dr S Lu (1993-2002)
Dr IP Aspin (1993-1996)
Dr A Brownhill (1992-1995)

Research Collaborations

My work is interdisciplinary in nature and sits at the boundary of different fields of science and engineering and consequently I collaborate widely.

Internal collaborators

Dr BJ Howlin (Chemistry Department, polymer modelling)
Dr G Cavalli (Chemistry Department, polymer synthesis)
Dr DJ Highgate (Chemistry, hydrophilic polymers)
Professor SRP Silva (ATI, functional nanocomposites)
Professor PA Smith (Materials Engineering Sciences, polymer and composite fracture)
Dr S Ogin (Materials Engineering Sciences, resin transfer moulding)
Dr D Jesson (Materials Engineering Sciences, green chemistry)
Professor S Taylor (BP – Centre for Petroleum and Surface Chemistry)

External collaborators

Professor H-X Peng - University of Bristol, UK
Professor H Ishida - Case Reserve Western University, Ohio, USA
Professor J Wiggins - University of Southern Mississippi, USA
Professor J-P Pascault, - INSA, Lyon, France
Professor M Alagar - Anna University, Chennai, India
Dr MS Lakshimi - Central Leather Research Institute, Chennai, India
Professor PT McGrail - ICOMP, University of Limerick, Ireland
Dr K Pielichowski - Cracow Technical University, Poland
Professor M Song, University of Loughborough, UK
Professor B Kandola – University of Bolton, UK

Industry or other research organisations

Dr A Baidak, Dr DA Tilbrook, Dr P McKenzie, Dr S Mortimer – Hexcel, UK
Dr P Cross, Dr S Ward, Dr M – Cytec, UK
Dr S Takeda – Hitachi Chemical Co., Japan
Dr A Gunner, Dr R Wise, Dr S Naik - TWI, UK
Professor SJ Shaw, Dr CA Stone, Dr M Swan - Dstl, UK
Dr T Stute, Dr M Funke – Airbus, Germany
Dr P Ballocchi, Dr P Jenkins – Bombardier, Belfast
Dr B Burns – Henkel, Ireland
Dr S Ellinger, Dr G La Delfa – Lonza, Visp, Switzerland

Publications

Journal articles

  • Hamerton I, McNamara LT, Howlin BJ, Smith PA, Cross P, Ward S. (2014) 'Developing toughened aromatic polybenzoxazines using thermoplastic oligomers and telechelics, part 1: Preparation and characterization of the functionalized oligomers'. Journal of Applied Polymer Science, 131 (19)

    Abstract

    The preparation and characterization of three families of thermoplastic oligomers (M‰=‰2918-13263 g mol) based on polyarylsulfone (PSU) differing in both molecular weight and terminal functionality and one series of polyarylethersulfone (PES) of different molecular weights is reported. Infrared and nuclear magnetic resonance spectroscopy data support the formation of both the hydroxyl terminated oligomers and conversion (67-89% depending on molecular weight) to the telechelic PSU oligomer bearing reactive benzoxazine groups. Differential scanning calorimetry reveals that the onset of homopolymerization in the telechelic PSU oligomer occurs at around 100°C (peak maximum 125°C at 10 K/min) and rescans show values of the glass transition (for the homopolymers) ranging from 124 to 167°C depending on molecular weight. The influence on the oligomer backbone and terminal functionality is examined using thermal analysis. © 2014 Wiley Periodicals, Inc.

  • Pozegic TR, Anguita JV, Tang W, Silva SRP, Hamerton I, Ballocchi P, Jenkins P. (2014) 'Low temperature growth of carbon nanotubes on carbon fibre to create a highly networked fuzzy fibre reinforced composite with superior electrical conductivity'. Carbon, 74, pp. 319-328.

    Abstract

    We report a method for the growth of carbon nanotubes on carbon fibre using a low temperature growth technique which is infused using a standard industrial process, to create a fuzzy fibre composite with enhanced electrical characteristics. Conductivity tests reveal improvements of 510% in the out-of-plane and 330% in the in-plane direction for the nanocomposite compared to the reference composite. Further analysis of current-voltage (I-V) curves confirm a transformation in the electron transport mechanism from charge - hopping in the conventional material, to an Ohmic diffusive mechanism for the carbon nanotube modified composite. Single fibre tensile tests reveal a tensile performance decrease of only 9.7% after subjecting it to our low temperature carbon nanotube growth process, which is significantly smaller than previous reports. Our low-temperature growth process uses substrate water-cooling to maintain the bulk of the fibre material at lower temperatures, whilst the catalyst on the surface of the carbon fibre is at optimally higher temperatures required for carbon nanotube growth. The process is large-area production compatible with bulk-manufacturing of carbon fibre polymer composites. © 2014 Elsevier Ltd. All rights reserved.

  • Hamerton I, Howlin BJ, Yeung S-YC. (2014) 'Studying structure-property relationships in oligomeric engineering thermoplastics by controlled preparation of low molecular weight polymers'. Reactive and Functional Polymers, 81 (1), pp. 22-32.

    Abstract

    The preparation of a series of oligomeric engineering thermoplastics (PS, PES, PEI and PAI) is reported. H and C NMR and FT-IR/ATR spectroscopic techniques are combined to determine the chemical structure of the synthetic polymers, which are produced in good yield and purity. GPC measurements show the weight average molecular weight (M ) of the synthesised thermoplastics fall in the range 5454-33,866 g mol and display polydispersity indices in the range 1.33-1.82. Glass transition temperatures (T) values measured by DSC, occur between 107 and 257 °C and fall in the pattern PS < PES < PEI < PAI. Molecular simulation is used to probe the structure property relationships displayed by PS and PES and reproduces the elastic properties of PS well within the range of the literature; while the values of PES are less well reproduced. The simulated T values of both oligomers agree well with those obtained empirically using DSC. © 2014 Elsevier Ltd. All rights reserved.

  • Hamerton I, McNamara LT, Howlin BJ, Smith PA, Cross P, Ward S. (2014) 'Examining the kinetics of the thermal polymerization of commercial aromatic bis-benzoxazines'. Journal of Polymer Science, Part A: Polymer Chemistry, 52 (14), pp. 2068-2081.

    Abstract

    Three commercial bis-benzoxazine monomers based on the aniline derivatives of bisphenol A (BA-a), bisphenol F (BF-a), and 3,3-thiodiphenol (BT-a) are examined using a variety of spectroscopic, chromatographic, and thermomechanical techniques. The kinetics of the polymerization of BA-a were found to be well described using an autocatalytic model for which values of n = 1.39 and m = 2.49 were obtained for the early and later stages of reaction respectively (activation energy = 81-88 kJ/mol.). Following recrystallization the same monomer yielded values of n = 1.80, m = 0.92, and E = 94-97 kJ/mol. BF-a and BT-a were also found to be well described using an autocatalytic model for which values of n = m = 2.11 (BF-a) and n = 2.10, m = 1.47 (BT-a) were obtained for the early and later stages of reaction (activation energy = 80-84 kJ/mol. for BF-a and 88-95 kJ/mol. for BT-a). The kinetic data are compared with parallel studies involving chemically initiated benzoxazine monomers. Molecular simulation is used to examine the rotational freedom of the central bridging units and this is related to the degree of conversion achieved. © 2014 Wiley Periodicals, Inc.

  • Baggott A, Bass JR, Hall SA, Hamerton I, Howlin BJ, Mooring L, Sparks D. (2014) 'At the limits of simulation: A new method to predict thermal degradation behavior in cyanate esters and nanocomposites using molecular dynamics simulation'. Macromolecular Theory and Simulations, 23 (6), pp. 369-372.

    Abstract

    Despite their inability to model bond breaking molecular dynamics simulations are shown to predict thermal degradation temperatures of polycyanurate (cyanate ester) homopolymers and nanocomposites in very close agreement with experimental data. Simulated polymer density, used to predict T also shows a reduction within the same temperature range as experimental values for the thermal degradation. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  • Hamerton I, McNamara LT, Howlin BJ, Smith PA, Cross P, Ward S. (2014) 'Toughening mechanisms in aromatic polybenzoxazines using thermoplastic oligomers and telechelics'. Macromolecules, 47 (6), pp. 1946-1958.

    Abstract

    2,2-Bis(3,4-dihydro-3-phenyl-2H-1,3-benzoxazine)propane (BA-a) is blended with oligomers of polyarylsulfone (PSU) and polyarylethersulfone (PES) of different low/intermediate molecular weights (3000-12 000 g mol) and terminal functionality (chloro-, hydroxyl- or benzoxazinyl- (Bz)). Fracture toughness (K) is observed to increase from 0.8 MPa m for cured BA-a to 1 MPa m with the incorporation of 10 wt % PSU-Bz (12 000 g mol). Generally, greater improvements in K are observed for the PES oligomers compared with the PSU oligomers of equivalent molecular weight. The terminal functionality of the thermoplastic has a lesser effect on improving toughness than increasing the molecular weight or the nature of the polymer backbone. Surface analysis of the fractured surfaces show greater phase separation and crack pinning in the PES toughened system. Where crack pinning is less obvious, as in the case of hydroxyl-terminated PES (of 6000 g mol), this coincides with a drop in fracture toughness. © 2014 American Chemical Society.

  • Hamerton I, McNamara LT, Howlin BJ, Smith PA, Cross P, Ward S. (2014) 'Kinetics and cure mechanism in aromatic polybenzoxazines modified using thermoplastic oligomers and telechelics'. Macromolecules, 47 (6), pp. 1935-1945.

    Abstract

    A series of blends is prepared comprising 2,2-bis(3,4-dihydro-3-phenyl-2H- 1,3-benzoxazine)propane (BA-a) with variously 5, 10, or 20 wt % of a selected oligomer represented by poly(arylsulfone) (PSU) or poly(arylethersulfone) (PES). The oligomers, comprising either chloro-, hydroxyl- or benzoxazinyl- (Bz) terminal functionality, are of low molecular weight (3000-12000 g mol ). The introduction of the oligomers is shown to initiate the polymerization of a bisbenzoxazine monomer where the terminal functionality of the oligomer is coreactive (e.g., hydroxyl or benzoxazine) without having a detrimental effect on the polymerization kinetics (similar values for the activation energy and orders of reaction are obtained). The introduction of the nonreactive chloro-terminated oligomer appears to favor the formation of an interpenetrating network (IPN) with a higher energy of activation. The thermal stability of the blends is generally increased compared with the polybenzoxazine homopolymer, regardless of the molecular weight or thermoplastic loading. Aside from the aforementioned PSU-containing IPN, the nature of the resulting network is slightly modified by the addition of the thermoplastic with similar or slightly elevated cross-link densities recorded (compared with the polybenzoxazine homopolymer). The heterogeneity of the network increases with a broadening of the tan δ response, suggesting an improvement in the toughness of the resulting blend. © 2014 American Chemical Society.

  • Hamerton I, Mcnamara LT, Howlin BJ, Smith PA, Cross P, Ward S. (2014) 'Examining the kinetics of the thermal polymerization of commercial aromatic bis-benzoxazines'. Journal of Polymer Science, Part A: Polymer Chemistry,

    Abstract

    Three commercial bis-benzoxazine monomers based on the aniline derivatives of bisphenol A (BA-a), bisphenol F (BF-a), and 3,3'-thiodiphenol (BT-a) are examined using a variety of spectroscopic, chromatographic, and thermomechanical techniques. The kinetics of the polymerization of BA-a were found to be well described using an autocatalytic model for which values of n=1.39 and m=2.49 were obtained for the early and later stages of reaction respectively (activation energy=81-88 kJ/mol.). Following recrystallization the same monomer yielded values of n=1.80, m=0.92, and E=94-97 kJ/mol. BF-a and BT-a were also found to be well described using an autocatalytic model for which values of n=m=2.11 (BF-a) and n=2.10, m=1.47 (BT-a) were obtained for the early and later stages of reaction (activation energy=80-84 kJ/mol. for BF-a and 88-95 kJ/mol. for BT-a). The kinetic data are compared with parallel studies involving chemically initiated benzoxazine monomers. Molecular simulation is used to examine the rotational freedom of the central bridging units and this is related to the degree of conversion achieved. © 2014 Wiley Periodicals, Inc.

  • Hamerton I, Howlin BJ, Tilbrook DA. (2014) 'Examining the preparation and characterization of coatings based on linear aromatic terpoly(methoxy-cyanurate-thiocyanurate)s'. Polymer International, 63 (1), pp. 60-71.

    Abstract

    Two series of terpoly(methoxy-cyanurate-thiocyanurate)s based on thiodiphenol and dithiodiphenyl sulphide, and dihydroxydiphenylether and dithiodiphenyl ether, are prepared in good yield and purity, and fully characterised. Most of the resulting polymers, formed at room temperature using phase transfer catalysis, can be cast into films with good resilience and thermal stability. Two series of terpoly(methoxy-cyanurate-thiocyanurate)s based on thiodiphenol and dithiodiphenyl sulfide and on dihydroxydiphenyl ether and dithiodiphenyl ether, were prepared in good yield and purity and fully characterized. Most of the resulting polymers, formed at room temperature using phase transfer catalysis, can be cast into films with good resilience and thermal stability (some examples suffer practically no mass loss when held isothermally at 190 °C and only display appreciable losses when held continuously at 225 °C). Char yields of 53%-61% are achieved in nitrogen depending on backbone structure. Some problems were encountered with solubility, particularly with copolymers, which limited molecular weight analysis, but values of M = 8000-13000 g mol were obtained for the polymers based on thiodiphenol and dithiodiphenyl sulfide, and M = 5000-13000 g mol for the polymers based on dihydroxydiphenyl ether and dithiodiphenyl ether. DSC reveals polymerization exotherms with maxima at 184-207 °C (ΔH = 43-59 kJ mol), which are believed to be due to isomerization of the cyanurate to the isocyanurate (activation energies span 159-195 kJ mol). Molecular simulation shows that diphenylether and diphenylsulfide display very similar conformational energy surfaces and would therefore be expected to adopt similar conformations, but the diphenylsulfide offers less resistance to deformations that increase the proximity of the two phenyl rings and results in more resilient films. © 2013 Society of Chemical Industry.

  • Pozegic TR, Anguita JV, Tang W, Silva SRP, Hamerton I, Ballocchi P, Jenkins P. (2014) 'Low temperature growth of carbon nanotubes on carbon fibre to create a highly networked fuzzy fibre reinforced composite with superior electrical conductivity'. Carbon,

    Abstract

    We report a method for the growth of carbon nanotubes on carbon fibre using a low temperature growth technique which is infused using a standard industrial process, to create a fuzzy fibre composite with enhanced electrical characteristics. Conductivity tests reveal improvements of 510% in the out-of-plane and 330% in the in-plane direction for the nanocomposite compared to the reference composite. Further analysis of current-voltage (I-V) curves confirm a transformation in the electron transport mechanism from charge - hopping in the conventional material, to an Ohmic diffusive mechanism for the carbon nanotube modified composite. Single fibre tensile tests reveal a tensile performance decrease of only 9.7% after subjecting it to our low temperature carbon nanotube growth process, which is significantly smaller than previous reports. Our low-temperature growth process uses substrate water-cooling to maintain the bulk of the fibre material at lower temperatures, whilst the catalyst on the surface of the carbon fibre is at optimally higher temperatures required for carbon nanotube growth. The process is large-area production compatible with bulk-manufacturing of carbon fibre polymer composites. © 2014 Elsevier Ltd. All rights reserved.

  • Hamerton I, Ennis K, Howlin BJ, McNamara LT. (2013) 'Effects of thermal history on the polymerisation mechanism and network development in aromatic polybenzoxazines'. Reactive and Functional Polymers, 73 (12), pp. 1612-1624.

    Abstract

    The effect of heating rate (2, 8 and 15 K min) during the initial stages of cure of 2,2-bis(3,4-dihydro-3-phenyl-2H-1,3-benzoxazine) propane is examined. The rate of heating has a marked effect on the observed modulus, measured by DMTA, with the higher heating rate giving rise to an increase in storage modulus of ca. 1000 MPa, although this is not accompanied by an increase in glass transition temperature. The thermal stability of the resulting polybenzoxazines also differs with the slower heating rate giving rise to less thermally stable structures. Data obtained from Raman spectroscopy (when combined with principal components analysis) suggest subtle changes in the mechanism during the early stages of reaction associated C-N-C and C-O moieties, some of which persist following a higher temperature postcure step leading to a crosslinked network with higher aliphatic character. © 2013 The Authors. Published by Elsevier B.V. All rights reserved.

  • Hamerton I, Howlin BJ, Thompson S, Stone CA. (2013) 'A new method to predict the thermal degradation behaviour of polybenzoxazines from empirical data using structure property relationships'. Macromolecules, 46 (19), pp. 7605-7615.
  • Smith ER, Howlin BJ, Hamerton I. (2013) 'Using POSS reagents to reduce hydrophobic character in polypropylene nanocomposites'. Journal of Materials Chemistry A, 1 (41), pp. 12971-12980.

    Abstract

    Three POSS reagents (1,2-propanediolisobutyl POSS, glycidylisooctyl POSS, and triglycidylisobutyl POSS, all 5 wt%) are incorporated into a commercial isotactic polypropylene, PP. Infrared and Raman spectroscopy show that the blending has been successful as evidenced by the presence of Si-O-Si bands at 1098-1110 cm, which are not present in the base polymer. The inclusion of 5 wt% of the various POSS reagents leads to a general increase in the loss modulus at the T (e.g. the greatest increase being from ca. 125 MPa to ca. 150 MPa) from DMTA data, although the T of the PP is slightly diminished by 4-8 K depending on the POSS used. The melting behaviour is also altered as the addition of POSS leads to a more diffuse and multimodal melting endotherm in the blends, although the melting temperature does increase slightly (7 K). TGA data confirm that the thermal and thermo-oxidative stability of PP is not adversely affected by the inclusion of the POSS reagents at this concentration. Tensile data show that the ultimate tensile strength (ca. 24.7 ± 0.1 MPa) remains the same, although the tensile modulus (ca. 1.24 ± 0.06 GPa) is reduced by up to 0.22 GPa and the maximum load does reduce by ca. 80-160 N. Contact angle measurements for the PP (99.72°± 0.73) show that the inclusion of the POSS reagents at this level does reduce its hydrophobic character as the greatest depression in contact angle is effected by the inclusion of 5 wt% triglycidylisobutyl-POSS (85.77°± 1.39). Molecular modelling and QSPR techniques are used to predict selected physical properties of the PP/POSS nanocomposites. © 2013 The Royal Society of Chemistry.

  • Devaraju S, Vengatesan MR, Selvi M, Alagar M, Kumar AA, Hamerton I, Go JS. (2013) 'Low surface free energy cyanate ester-silica hybrid (CE-SiO) nanomaterials for low k dielectric applications'. RSC Advances, 3 (31), pp. 12915-12921.

    Abstract

    The present work addresses the synthesis of 1,4-bis(2-(4-hydroxyphenyl)-2- propyl)benzene based cyanate ester-silica hybrid (CE-SiO) nanomaterials by an in situ sol-gel method. The nanomaterials are synthesized using a 1,4-bis(2-(4-cyanotophenyl)-2-propyl)benzene [CE] (organic phase) monomer and tetraethoxysilane (TEOS) (inorganic phase) in the presence of various molar ratios of coupling agents [γ-aminopropyltriethoxysilane (APTES) or 3-glycidoxypropyltrimethoxysilane (GPTMS)] through covalent bond interaction. The formation of a covalent bond between the organic and inorganic phases is confirmed by FT-IR. Thermal studies indicate that nanomaterials (CE-SiO) show a higher T and thermal degradation temperature when compared with neat CE. Morphological studies confirm the molecular level dispersion of silica and CE resin. From the contact angle measurement, the hybrid materials are seen to possess better hydrophobicity i.e. the contact angle value increases from 89°and 57°to 108°and 78°for water and diiodomethane as a probe liquid respectively, also surface free energy reduced from 32.8 to 19.00 mJ m. These materials are expected to find wide application in the field of microelectronics and optoelectronics. © The Royal Society of Chemistry 2013.

  • Hamerton I, Howlin BJ, Tilbrook DA. (2013) 'Examining structure property relationships in coatings based on substituted linear aromatic polycyanurates'. REACTIVE & FUNCTIONAL POLYMERS, 73 (8), pp. 1046-1057.
  • Hamerton I, McNamara LT, Howlin BJ, Smith PA, Cross P, Ward S. (2013) 'Examining the Initiation of the Polymerization Mechanism and Network Development in Aromatic Polybenzoxazines.'. Macromolecules, 46 (13), pp. 5117-5132.

    Abstract

    Three bis-benzoxazine monomers based on the aniline derivatives of bisphenol A (BA-a), bisphenol F (BF-a), and 3,3'-thiodiphenol (BT-a) are examined using a variety of spectroscopic, chromatographic, and thermomechanical techniques. The effect on the polymerization of the monomers is compared using two common compounds, 3,3'-thiodiphenol (TDP) and 3,3'-thiodipropionic acid (TDA), at a variety of loadings. It is found that the diacid has a greater effect on reducing the onset of polymerization and increasing cross-link density and T g for a given benzoxazine. However, the addition of >5 wt % of the diacid had a detrimental effect on the cross-link density, T g, and thermal stability of the polymer. The kinetics of the polymerization of BA-a were found to be well described using an autocatalytic model for which values of n = 1.64 and m = 2.31 were obtained for the early and later stages of reaction (activation energy = 81 kJ/mol). Following recrystallization the same monomer yielded values n = 1.89, m = 0.89, and E a = 94 kJ/mol (confirming the influence of higher oligomers on reactivity). The choice of additive (in particular the magnitude of its pK a) appears to influence the nature of the network formation from a linear toward a more clusterlike growth mechanism.

  • Hamerton I, Tang W, Anguita JV, Silva SRP. (2013) 'Towards the rational design of polymers using molecular simulation: Predicting the effect of cure schedule on thermo-mechanical properties for a cycloaliphatic amine-cured epoxy resin'. Reactive and Functional Polymers, 74 (1), pp. 1-15.

    Abstract

    We report prediction of selected physical properties (e.g. glass transition temperature, moduli and thermal degradation temperature) using molecular dynamics simulations for a difunctional epoxy monomer (the diglycidyl ether of bisphenol A) when cured with p-3,3′-dimethylcyclohexylamine to form a dielectric polymer suitable for microelectronic applications. Plots of density versus temperature show decreases in density within the same temperature range as experimental values for the thermal degradation and other thermal events determined using e.g. dynamic mechanical thermal analysis. Empirical characterisation data for a commercial example of the same polymer are presented to validate the network constructed. Extremely close agreement with empirical data is obtained: the simulated value for the glass transition temperature for the 60 C cured epoxy resin (simulated conversion α = 0.70; experimentally determined α = 0.67 using Raman spectroscopy) is ca. 70-85 C, in line with the experimental temperature range of 60-105 C (peak maximum 85 C). The simulation is also able to mimic the change in processing temperature: the simulated value for the glass transition temperature for the 130 C cured epoxy resin (simulated α = 0.81; experimentally determined α = 0.73 using Raman and α = 0.85 using DSC) is ca. 105-130 C, in line with the experimental temperature range of 110-155 C (peak maximum 128 C). This offers the possibility of optimising the processing parameters in silico to achieve the best final properties, reducing labour- and material-intensive empirical testing. © 2013 Elsevier Ltd. All rights reserved.

  • Wan Hassan WA, Hamerton I, Howlin BJ. (2013) 'Prediction of selected physical and mechanical properties of a telechelic polybenzoxazine by molecular simulation.'. PLoS One, United States: 8 (4)

    Abstract

    Molecular simulation is becoming an important tool for both understanding polymeric structures and predicting their physical and mechanical properties. In this study, temperature ramped molecular dynamics simulations are used to predict two physical properties (i.e., glass transition temperature and thermal degradation temperature) of a previously synthesised and published telechelic benzoxazine. Plots of simulated density versus temperature show decreases in density within the same temperature range as experimental values for the thermal degradation. The predicted value for the thermal degradation temperature for the cured polybenzoxazine based on the telechelic polyetherketone (PEK) monomer was ca. 400°C, in line with the experimental thermal degradation temperature range of 450°C to 500°C. Mechanical Properties of both the unmodified PEK and the telechelic benzoxazines are simulated and compared to experimental values (where available). The introduction of the benoxazine moieties are predicted to increase the elastic moduli in line with the increase of crosslinking in the system.

  • Hamerton I, Howlin BJ, Mhlanga P, Wan Hassan WA. (2013) 'Using QSPR techniques to predict char yield arising from the thermal degradation of polybenzoxazines'. Polymer Degradation and Stability, 98 (1), pp. 446-452.

    Abstract

    Molecular Operating Environment software is used to construct a series of benzoxazine monomers for which a variety of parameters relating to the structures (e.g. water accessible surface area, negative van der Waals surface area, hydrophobic volume and the sum of atomic polarizabilities, etc.) are obtained and quantitative structure property relationships (QSPR) models are formulated. Three QSPR models (formulated using up to 5 descriptors) are first used to make predictions for the initiator data set (n = 9) and compared to published thermal data; in all of the QSPR models there is a high level of agreement between the actual data and the predicted data (within 0.44-0.77% of the entire data set). The water accessible surface area is found to be the most important descriptor in the prediction of char yield. A more complex QSPR model with 15 descriptors (R > 0.99) is used to predict char yields for 34 different polybenzoxazines and for this series fine agreement (3.03%) is found. © 2012 Elsevier Ltd. All rights reserved.

  • Hamerton I, Howlin BJ, Yeung S-YC. (2013) 'Designing thermoplastic oligomers with programmed degradation mechanisms using a combined empirical and simulation approach'. Polymer Degradation and Stability,

    Abstract

    Molecular simulation is used to probe the structure property relationships displayed by polysulphone (PS) and polyethersulphone (PES) and reproduces closely the temperatures at which thermal degradation occurs (and the glass transition temperatures). Both data sets agree well with those obtained empirically using TGA. The examination of the thermal and thermo-oxidative stability of thermoplastic oligomers (M = 5454-33,866 g mol, PDI 1.33-1.82) based on PS, PES, polyetherimide (PEI) and poly(amide-imide) (PAI), is reported. TGA reveals the least thermally stable polymer is PES (T = ∼250 °C), while PAI (T = ∼350 °C) is the highest: the materials usually display two-step decomposition patterns: scission of bridging group and degradation of backbone structure. A possible mechanism for the degradation of a PAI is proposed on the basis of the empirical and simulation data. This work provides a general method for the prediction of the thermal stability of oligomeric modifiers (and high molecular weight polymers). © 2013 Elsevier Ltd. All rights reserved.

  • Hamerton I, Tilbrook DA, Howlin BJ. (2013) 'Examining the preparation and characterization of coatings based on linear aromatic terpoly(methoxy-cyanurate-thiocyanurate)s'. Polymer International,

    Abstract

    Two series of terpoly(methoxy-cyanurate-thiocyanurate)s based on thiodiphenol and dithiodiphenyl sulphide, and dihydroxydiphenylether and dithiodiphenyl ether, are prepared in good yield and purity, and fully characterised. Most of the resulting polymers, formed at room temperature using phase transfer catalysis, can be cast into films with good resilience and thermal stability. Two series of terpoly(methoxy-cyanurate-thiocyanurate)s based on thiodiphenol and dithiodiphenyl sulfide and on dihydroxydiphenyl ether and dithiodiphenyl ether, were prepared in good yield and purity and fully characterized. Most of the resulting polymers, formed at room temperature using phase transfer catalysis, can be cast into films with good resilience and thermal stability (some examples suffer practically no mass loss when held isothermally at 190 °C and only display appreciable losses when held continuously at 225 °C). Char yields of 53%-61% are achieved in nitrogen depending on backbone structure. Some problems were encountered with solubility, particularly with copolymers, which limited molecular weight analysis, but values of M = 8000-13000 g mol were obtained for the polymers based on thiodiphenol and dithiodiphenyl sulfide, and M = 5000-13000 g mol for the polymers based on dihydroxydiphenyl ether and dithiodiphenyl ether. DSC reveals polymerization exotherms with maxima at 184-207 °C (ΔH = 43-59 kJ mol), which are believed to be due to isomerization of the cyanurate to the isocyanurate (activation energies span 159-195 kJ mol). Molecular simulation shows that diphenylether and diphenylsulfide display very similar conformational energy surfaces and would therefore be expected to adopt similar conformations, but the diphenylsulfide offers less resistance to deformations that increase the proximity of the two phenyl rings and results in more resilient films. © 2013 Society of Chemical Industry.

  • Mhlanga P, Wan Hassan WA, Hamerton I, Howlin BJ. (2013) 'Using combined computational techniques to predict the glass transition temperatures of aromatic polybenzoxazines.'. PLoS One, United States: 8 (1)

    Abstract

    The Molecular Operating Environment software (MOE) is used to construct a series of benzoxazine monomers for which a variety of parameters relating to the structures (e.g. water accessible surface area, negative van der Waals surface area, hydrophobic volume and the sum of atomic polarizabilities, etc.) are obtained and quantitative structure property relationships (QSPR) models are formulated. Three QSPR models (formulated using up to 5 descriptors) are first used to make predictions for the initiator data set (n = 9) and compared to published thermal data; in all of the QSPR models there is a high level of agreement between the actual data and the predicted data (within 0.63-1.86 K of the entire dataset). The water accessible surface area is found to be the most important descriptor in the prediction of T(g). Molecular modelling simulations of the benzoxazine polymer (minus initiator) carried out at the same time using the Materials Studio software suite provide an independent prediction of T(g). Predicted T(g) values from molecular modelling fall in the middle of the range of the experimentally determined T(g) values, indicating that the structure of the network is influenced by the nature of the initiator used. Hence both techniques can provide predictions of glass transition temperatures and provide complementary data for polymer design.

  • Hamerton I, Howlin BJ, Tilbrook DA. (2013) 'Examining thermal stability and structure property relationships in coatings based on linear aromatic poly(methoxy-thiocyanurate)s'. Polymer Degradation and Stability,

    Abstract

    A series of copoly(methoxy-thiocyanurate)s is prepared in good yield and purity, and fully characterised. Many of the resulting polymers, formed at room temperature using phase transfer catalysis, can be cast into films with good resilience and thermal stability (some examples suffer practically no mass loss when held isothermally at 190 °C and only display appreciable losses when held continuously at 225 °C). Char yields of 61-64% are achieved in nitrogen depending on backbone structure. Some problems were encountered with solubility, particularly with copolymers, which limited molecular weights analysis, but values of M  = 7000-10,000 g mol were obtained for the polycyanurate and polythiocyanurate homopolymers. DSC reveals polymerisation exotherms with maxima at 197-207 °C (ΔH  = 39-48 kJ/mol), which are believed to be due to isomerisation of the (activation energies span 172-205 kJ/mol), since X-ray powder diffraction measurements reveal no evidence of crystalline structure in the resulting product. © 2013.

  • Hamerton I, Tedaldi L, Eastaugh N. (2013) 'A systematic examination of colour development in synthetic ultramarine according to historical methods.'. PLoS One, United States: 8 (2)

    Abstract

    A number of historical texts are investigated to ascertain the optimum conditions for the preparation of synthetic ultramarine, using preparative methods that would have been available to alchemists and colour chemists of the nineteenth century. The effect of varying the proportion of sulphur in the starting material on the colour of the final product is investigated. The optimum preparation involves heating a homogenised, pelletised mixture of kaolin (100 parts), sodium carbonate (100 parts), bitumen emulsion (or any 'sticky' carbon source) (12 parts) and sulphur (60 parts) at 750°C for ca. 4 hours. At this stage the ingress of air should be limited. The sample is allowed to cool in the furnace to 500°C, the ingress of air is permitted and additional sulphur (30 parts) is introduced before a second calcination step is undertaken at 500°C for two hours. The products obtained from the optimum synthesis have CIE ranges of x  = 0.2945-0.3125, y  = 0.2219-0.2617, Y  = 0.4257-0.4836, L* = 3.8455-4.3682, a*  = 4.2763-7.6943, b* = -7.6772-(-)3.3033, L  = 3.8455-4.3682, C = 5.3964-10.8693, h = 315.0636-322.2562. The values are calculated using UV/visible near infrared spectra using Lazurite [1], under D65 illumination, and the 1931 2° observer.

  • Hamerton I, Howlin BJ, Mitchell AL, McNamara LT, Takeda S. (2012) 'Systematic examination of thermal, mechanical and dielectrical properties of aromatic polybenzoxazines'. Reactive and Functional Polymers, 72 (10), pp. 736-744.

    Abstract

    A series of bis-benzoxazines, prepared in high yield and purity using two synthetic procedures, is reported. Differential scanning calorimetry reveals similar temperatures for the onset of polymerisation (162-180 °C); the higher values representing monomers containing polar bridges or rigid backbones. Dynamic viscoelasticity data reveal glass transition temperatures for the polybenzoxazines ranging from 187 °C to 235 °C; a fluorinated polybenzoxazine consistently yields the highest T of the polymers studied. The latter is interesting since it is superior to many commercial benzoxazines with a relatively high T (235 °C), flexural modulus (5.0 GPa) and flexural strength (146.7 MPa), but coupled with a breaking strain (3.06%) that is uncharacteristically high for polybenzoxazines. The incorporation of fluorine results in a low dielectric loss properties (D = 3.71-4.12 at 10 MHz, D = 0.0109 - 0.0980 at 10 MHz), which are comparable with commercial polybenzoxazines, FR4 and aerospace epoxy resins and superior to commercial bismaleimides.

  • Crawford AO, Howlin BJ, Cavalli G, Hamerton I. (2012) 'Examining the thermo-mechanical properties of novel cyanate ester blends through empirical measurement and simulation'. Reactive and Functional Polymers, 72 (9), pp. 596-605.

    Abstract

    Three cyanate ester monomer or oligomer species: 2,2-bis(4-cyanatophenyl) propane 1, 1-1-bis(4-dicyanatophenyl)ethane 2, and the oligomeric phenolic cyanate (Primaset™ PT30) 3, are blended in various ratios to form binary mixtures, formulated with copper(II) acetylacetonate (200 ppm) in dodecylphenol (1% w/v active copper suspension) and cured (2 K/min to 150 °C + 1 h; 2 K/min to 200 °C + 3 h) followed by a post cure (2 K/min to 260 °C + 1 h). Thermal analysis using DSC reveals good agreement with literature data for the homopolymers: typical polymerisation enthalpies of ca. 97-98 kJ/mol. cyanate are obtained for 1 and 2, with slightly lower values (ca. 80-90 kJ/mol.) obtained for Primaset™ PT30. DMTA data show the possibility of using binary blends of the polymers to yield novel materials with similar thermal and mechanical properties to Primaset™ PT30, while improving the processability of the more highly aromatic oligomer. Two of the homopolymers (1 and 2) and a binary (1:1) blend of the same were simulated. Molecular dynamics experiments reveal good agreement with empirical data generated using DSC, DMTA and TGA. © 2012 Elsevier Ltd. All rights reserved.

  • Howlin BJ. (2012) 'Predicting Glass Transition Temperatures of Polyarylethersulphones Using QSPR Methods'. PLoS One, 1932-6203: 7 (6) Article number e38424

    Abstract

    The technique of Quantitative Structure Property Relationships has been applied to the glass transition temperatures of polyarylethersulphones. A general equation is reported that calculates the glass transition temperatures with acceptable accuracy (correlation coefficients of between 90–67%, indicating an error of 10–30% with regard to experimentally determined values) for a series of 42 reported polyarylethersulphones. This method is quite simple in assumption and relies on a relatively small number of parameters associated with the structural unit of the polymer: the number of rotatable bonds, the dipole moment, the heat of formation, the HOMO eigenvalue, the molar mass and molar volume. For smaller subsets of the main group (based on families of derivatives containing different substituents) the model can be simplified further to an equation that uses the volume of the substituents as the principal variable.

  • Hamerton I, Howlin BJ, Jewell SL, Patel P. (2012) 'Studying the co-reaction of propenyl-substituted cyanate ester-bismaleimide blends using model compounds'. Reactive and Functional Polymers, 72 (4), pp. 279-286.

    Abstract

    Reactive modifiers, bearing cyanate and/or alkenyl groups have been shown to improve the thermo-mechanical and water uptake properties of cured bismaleimides and BMI/cyanate ester blends. The allyl-substituted modifiers have been the subject of much study, but the reaction mechanism of the more reactive propenyl analogues (for which lower moisture absorptions have been recorded) have not received much attention until the present study. The synthesis and full characterisation of model maleimide and propenyl-substituted aryl cyanate compounds is reported. Infrared and Raman spectroscopy and thermal analysis techniques are used to examine the thermally initiated co-reaction between blends of the two model compounds. Raman spectroscopy reveals that as the thermal reaction proceeds, there is a pronounced decrease in the alkenyl CC stretch band at 1655 cm as a function of temperature and this is accompanied by a concomitant decrease in the vinylidene band at 3010 cm . In the absence of a dedicated catalyst, the cyanate cyclotrimerization is slow and follows the co-reaction between the alkenyl group and the maleimide ring. Molecular modelling experiments using semi-empirical and ab initio methods support the formation of the trans ene adduct which is consistent with calculated and observed vibrational frequencies. © 2012 Elsevier Ltd. All rights reserved.

  • Hamerton I, Glynn S, Hay JN, Pullinger MA, Shaw SJ. (2012) 'Studies of polycyanurates based on phenoxy-substituted cyclic phosphazenes: Synthesis of the monomer and a preliminary study of its thermal properties in binary blends'. Polymer Degradation and Stability, 97 (4), pp. 679-689.

    Abstract

    The four-step preparation of a new monomer, 1,2,3-tris(4-cyanatophenoxy)-,3′,5,5-tris-phenoxy-2λ5,4λ5,6λ5-[1,3,5,2,4,6]-triazatriphosphinine, is reported. Characterization of the monomer is undertaken using spectroscopic and chromatographic methods and elemental analysis and the data are in agreement with the proposed structure (as a mixture of isomers). The thermal polymerization of the monomer and its behaviour within selected blends containing 2,2-bis(4-cyanatophenyl)propane (AroCy B10) are studied using differential scanning calorimetry. The blends appear to melt sharply at ca. 80 °C onset of polymerization (corresponding to the melting point of the commercial dicyanate) before commencing polymerization directly thereafter. Typical exothermic peak maxima at ca. 135 °C are observed, whilst the cure is apparently concluded by 200 °C under the scanning conditions. On rescan, the cured samples display glass transition values in the region of 160–190 °C, depending on composition with the higher values reflecting increasing amounts of the new material. The cured polycyanurate of the tricyclophosphazene is also analysed using thermogravimetric analysis and displays a mass loss of 5% at approximately 381 °C in air and 366 °C in nitrogen. When 1,2,3-tris(4-cyanatophenoxy)-,3′,5,5-tris-phenoxy-2λ5,4λ5,6λ5-[1,3,5,2,4,6]-triazatriphosphinine is combined with AroCy B10, the cured copolymers (containing between 10 and 30 wt% of the tricyclophosphazene) show disappointing thermal stability with a progressive reduction in the onset of degradation with increasing phosphazine content; this may be a result of incomplete cure.

  • Hall SA, Howlin BJ, Hamerton I, Baidak A, Billaud C, Ward S. (2012) 'Solving the problem of building models of crosslinked polymers: an example focussing on validation of the properties of crosslinked epoxy resins.'. PLoS One, United States: 7 (8)

    Abstract

    The construction of molecular models of crosslinked polymers is an area of some difficulty and considerable interest. We report here a new method of constructing these models and validate the method by modelling three epoxy systems based on the epoxy monomers bisphenol F diglycidyl ether (BFDGE) and triglycidyl-p-amino phenol (TGAP) with the curing agent diamino diphenyl sulphone (DDS). The main emphasis of the work concerns the improvement of the techniques for the molecular simulation of these epoxies and specific attention is paid towards model construction techniques, including automated model building and prediction of glass transition temperatures (T(g)). Typical models comprise some 4200-4600 atoms (ca. 120-130 monomers). In a parallel empirical study, these systems have been cast, cured and analysed by dynamic mechanical thermal analysis (DMTA) to measure T(g). Results for the three epoxy systems yield good agreement with experimental T(g) ranges of 200-220°C, 270-285°C and 285-290°C with corresponding simulated ranges of 210-230°C, 250-300°C, and 250-300°C respectively.

  • Hamerton I, Howlin BJ, Mhlanga P, Wan Hassan WA. (2012) 'Using QSPR techniques to predict char yield arising from the thermal degradation of polybenzoxazines'. Polymer Degradation and Stability,

    Abstract

    Molecular Operating Environment software is used to construct a series of benzoxazine monomers for which a variety of parameters relating to the structures (e.g. water accessible surface area, negative van der Waals surface area, hydrophobic volume and the sum of atomic polarizabilities, etc.) are obtained and quantitative structure property relationships (QSPR) models are formulated. Three QSPR models (formulated using up to 5 descriptors) are first used to make predictions for the initiator data set (n = 9) and compared to published thermal data; in all of the QSPR models there is a high level of agreement between the actual data and the predicted data (within 0.44-0.77% of the entire data set). The water accessible surface area is found to be the most important descriptor in the prediction of char yield. A more complex QSPR model with 15 descriptors (R  > 0.99) is used to predict char yields for 34 different polybenzoxazines and for this series fine agreement (3.03%) is found. © 2012 Elsevier Ltd. All rights reserved.

  • Crawford AO, Hamerton I, Cavalli G, Howlin BJ. (2012) 'Quantifying the Effect of Polymer Blending through Molecular Modelling of Cyanurate Polymers.'. PLoS One, United States: 7 (9)

    Abstract

    Modification of polymer properties by blending is a common practice in the polymer industry. We report here a study of blends of cyanurate polymers by molecular modelling that shows that the final experimentally determined properties can be predicted from first principles modelling to a good degree of accuracy. There is always a compromise between simulation length, accuracy and speed of prediction. A comparison of simulation times shows that 125ps of molecular dynamics simulation at each temperature provides the optimum compromise for models of this size with current technology. This study opens up the possibility of computer aided design of polymer blends with desired physical and mechanical properties.

  • Zhang W, Shiozawa H, Wu CW, Hamerton I, Cox DC, Silva SR. (2012) 'The effect of pH on the functionalization of nylon fabric with carbon nanotubes.'. J Nanosci Nanotechnol, United States: 12 (1), pp. 84-90.

    Abstract

    Single walled carbon nanotubes (SWCNTs) were dispersed in water and attached to nylon fabrics by a dip-drying procedure; scanning electron microscopy and Raman spectroscopy suggest the attachment of the SWCNTs. The electrical resistance of the functionalized fabrics is found to be pH-dependent, which is correlated with the quantity of SWCNTs dispersed in water at different values of pH. This can be further ascribed to the influence of the pK(a) of the acid (e.g., acetic acid in this study) used to tune pH. The acid may affect the dispersion of SWCNTs through two different mechanisms: (1) the free protons may protonate the amine and/or sulfonate group in the dye molecules, resulting in a variety of interactions among the dye molecules, SWCNTs and water molecules and (2) the resulting ions may increase the ionic strength of the solution, compressing the electric double layers of SWCNT colloids and thus impairing their stability. The former possibility is ruled out by data obtained using X-ray photoelectron spectroscopy, Raman spectroscopy, and ultraviolet-visible-near infrared spectroscopy; thus the latter is proposed to account for the experimental results. The colour strength of the functionalized fabrics increases with increasing pH, which is in agreement with their measured electrical properties.

  • Hamerton I, Glynn S, Hay JN, Pullinger MA, Shaw SJ. (2012) 'Studies of polycyanurates based on phenoxy-substituted cyclic phosphazenes: Synthesis of the monomer and a preliminary study of its thermal properties in binary blends'. Polymer Degradation and Stability, 97 (4), pp. 679-689.

    Abstract

    The four-step preparation of a new monomer, 1,2,3-tris(4-cyanatophenoxy)-, 3′,5,5-tris-phenoxy-2λ ,4λ , 6λ -[1,3,5,2,4,6]-triazatriphosphinine, is reported. Characterization of the monomer is undertaken using spectroscopic and chromatographic methods and elemental analysis and the data are in agreement with the proposed structure (as a mixture of isomers). The thermal polymerization of the monomer and its behaviour within selected blends containing 2,2-bis(4-cyanatophenyl)propane (AroCy B10) are studied using differential scanning calorimetry. The blends appear to melt sharply at ca. 80 °C onset of polymerization (corresponding to the melting point of the commercial dicyanate) before commencing polymerization directly thereafter. Typical exothermic peak maxima at ca. 135°C are observed, whilst the cure is apparently concluded by 200°C under the scanning conditions. On rescan, the cured samples display glass transition values in the region of 160-190°C, depending on composition with the higher values reflecting increasing amounts of the new material. The cured polycyanurate of the tricyclophosphazene is also analysed using thermogravimetric analysis and displays a mass loss of 5% at approximately 381°C in air and 366°C in nitrogen. When 1,2,3-tris(4-cyanatophenoxy)-,3′,5,5-tris-phenoxy-2λ , 4λ ,6λ -[1,3,5,2,4,6]-triazatriphosphinine is combined with AroCy B10, the cured copolymers (containing between 10 and 30 wt% of the tricyclophosphazene) show disappointing thermal stability with a progressive reduction in the onset of degradation with increasing phosphazine content; this may be a result of incomplete cure. © 2011 Elsevier Ltd. All rights reserved.

  • Hamerton I, Howlin BJ, Pratt CR. (2010) 'Simulation of the free energy of mixing for blend components in a new family of flexible polycyanurates'. POLYMER, 51 (24), pp. 5857-5868.
  • Nagendiran S, Alagar M, Hamerton I. (2010) 'Octasilsesquioxane-reinforced DGEBA and TGDDM epoxy nanocomposites: Characterization of thermal, dielectric and morphological properties'. ACTA MATERIALIA, 58 (9), pp. 3345-3356.
  • Selvaraj V, Grace AN, Alagar M, Hamerton I. (2010) 'Antimicrobial and Anticancer Efficacy of Antineoplastic Agent Capped Gold Nanoparticles'. JOURNAL OF BIOMEDICAL NANOTECHNOLOGY, 6 (2), pp. 129-137.
  • Hamerton I, Howlin BJ, Pratt CR. (2010) 'Simulation of the free energy of mixing for blend components in a new family of flexible polycyanurates'. Polymer, 51 (24), pp. 5857-5868.

    Abstract

    The miscibility of the dicyanate of bisphenol A, with three dicyanate monomers, with aryl/alkylene ether backbones is studied at different compositions of a binary blend. Solubility parameters are calculated for dicyanate monomers and selected oligomers using the methods of Small and Fedors to predict compatibility. The results are evaluated in terms of the accuracy of the model in reproducing observed data. Gibbs free energy of mixing (ΔG) values for selected blends are calculated using the BLENDS module of Cerius. Empirical data (HPLC and MS) are used to inform the construction of selected models to represent different stages of polymer conversion. DMTA analysis is performed to examine the thermo-mechanical properties of the resulting blends and compared with the simulated blend data. © 2010 Elsevier Ltd.

  • Nagendiran S, Alagar M, Hamerton I. (2010) 'Octasilsesquioxane-reinforced DGEBA and TGDDM epoxy nanocomposites: Characterization of thermal, dielectric and morphological properties'. Acta Materialia,
  • Hamerton I, Howlin BJ, Klewpatinond P, Takeda S. (2009) 'Examination of the Thermal and Thermomechanical Behavior of Novel Cyanate Ester Homopolymers and Blends with Low Coefficients of Thermal Expansion'. MACROMOLECULES, 42 (20), pp. 7718-7735.
  • Nagendiran S, Chozhan CK, Alagar M, Hamerton I. (2008) 'Inorganic/organic hybrid nanocomposites involving OMMT clay and cyanate ester-siloxane-modified epoxy resin: Thermal, dielectric and morphological properties'. HIGH PERFORMANCE POLYMERS, 20 (3), pp. 323-347.
  • Hall SA, Hamerton I, Howlin BJ, Mitchell AL. (2008) 'Validating software and force fields for predicting the mechanical and physical properties of poly(bisbenzoxazine)s'. MOLECULAR SIMULATION, 34 (10-15) Article number PII 905744462 , pp. 1259-1266.
  • Jothibasu S, Premkumar S, Alagar M, Hamerton I. (2008) 'Synthesis and characterization of a POSS-maleimide precursor for hybrid nanocomposites'. High Performance Polymers, 20 (1), pp. 67-85.

    Abstract

    Epoxy polyhedral oligomeric silsesquioxane (POSS)-based hybrid nanocomposites were prepared by in situ polymerization of a homogeneous blend of the diglycidylether of bisphenol-A and 4,4'diaminodiphenylmethane (DDM) in the presence of octa(maleimidophenyl)silsesquioxane. The reaction of a maleimido-functionalized POSS cube with the epoxy resin was studied by Fourier transform infrared analysis and the formation of nanocomposites was confirmed by wide-angle X-ray diffraction and scanning electron microscopy. Dynamic mechanical analysis studies indicated that the crosslinking structures of the nanocomposite networks were predominantly formed between the terminal maleimide double bonds and the amino groups of DDM through a Michael addition reaction to form an aspartimide. The values of the glass transition temperatures (T g) decreased with increasing POSS-maleimide content and this was likely to be due to the inclusion of POSS cages into the system and the consequent increase in free volume. The dynamic thermal stability of the cured polymers was increased by increasing the POSS content in the hybrid epoxy matrices as evidenced from thermogravimetric analysis data.

  • Selvaraj V, Alagar M, Hamerton I. (2007) 'Nanocatalysts impregnated polythiophene electrodes for the electrooxidation of formic acid'. APPLIED CATALYSIS B-ENVIRONMENTAL, 73 (1-2), pp. 172-179.
  • Selvaraj V, Alagar M, Hamerton I. (2006) 'Analytical detection and biological assay of antileukemic drug using gold nanoparticles'. ELECTROCHIM ACTA, 52 (3), pp. 1152-1160.

    Abstract

    Gold nanoparticles are reported and evaluated as probes for the detection of anticancer drug 5-fluorouracil (5FU). The nature of binding between 5FU and gold nanoparticles via complexation is investigated using ultraviolet visible spectrophotometry, cyclic voltammetry, transmission electron microscopy, fluorescence and Fourier transform infrared (FTIR) spectroscopy. The bound antileukemic drug is fluorescent and the quenching property of gold nanoparticles could be exploited for biological investigations. The 5FU-colloidal gold complex (Au5FU) is observed to have appreciable antibacterial and antifungal activity against Micrococcus luteus, Staphylococcus aureus, Pseudomonas aeruginosa, Escherichia coli, Aspergillus fumigatus, and Aspergillus niger. The experimental studies suggest that gold nanoparticles have the potential to be used as effective carriers for anticancer drugs.

  • Selvaraj V, Alagar M, Hamerton I. (2006) 'Electrocatalytic properties of monometallic and bimetallic nanoparticles-incorporated polypyrrole films for electro-oxidation of methanol'. JOURNAL OF POWER SOURCES, 160 (2), pp. 940-948.
  • Hamerton I, Emsley AM, Hay JN, Herman H, Howlin BJ, Jepson P. (2006) 'The development of controllable complex curing agents for epoxy resins - Part 3. An investigation of the shelf life and thermal dissociation behaviour of bis(acetanilido)tris(acetato)dicuprate(II)'. JOURNAL OF MATERIALS CHEMISTRY, 16 (3), pp. 255-265.
  • Hamerton I, Howlin BJ, Klewpatinond P, Shortley HJ, Takeda S. (2006) 'Developing predictive models for polycyanurates through a comparative study of molecular simulation and empirical thermo-mechanical data'. POLYMER, 47 (2), pp. 690-698.
  • Hamerton I, Howlin BJ, Mitchell AL. (2006) 'Developing poly(bis-benzoxazines) with improved fracture toughness. 1: Using molecular simulation to determine and predict structure-property relationships'. REACTIVE & FUNCTIONAL POLYMERS, 66 (1), pp. 21-39.
  • Allington RD, Hamerton I, Hay JN, Howlin BJ, Attwood D. (2005) 'Inverse gas chromatography characterization of carbon fiber surfaces - Effects of applied surface treatment'. HIGH PERFORMANCE POLYMERS, 17 (4), pp. 561-574.
  • Georgiades A, Hamerton I, Hay JN, Herman H, Shaw SJ. (2004) 'N-(2-biphenylenyl)-4-[2'-phenylethynyl] phthalimide: 2. Detailed study of the monomer cure and properties of the resulting polymer'. POLYMER INTERNATIONAL, 53 (7), pp. 877-884.
  • Hamerton I, Emsley AM, Howlin BJ, Klewpatinond P, Takeda S. (2004) 'Studies on a dicyanate containing four phenylene rings and polycyanurate copolymers. 3. Application of mathematical models to determine the kinetics of the thermal degradation processes'. POLYMER, 45 (7), pp. 2193-2199.
  • Allington RD, Attwood D, Hamerton I, Hay JN, Howlin BJ. (2004) 'Developing improved models of oxidatively treated carbon fibre surfaces, using molecular simulation'. COMPOSITES PART A-APPLIED SCIENCE AND MANUFACTURING, 35 (10), pp. 1161-1173.
  • Hamerton I, Emsley AM, Howlin BJ, Klewpatinond P, Takeda S. (2003) 'Studies on a dicyanate containing four phenylene rings and polycyanurate blends. 2. Application of mathematical models to the catalysed polymerization process'. POLYMER, 44 (17), pp. 4839-4852.
  • Elliott J, Hamerton I, Hay JN, Shaw SJ. (2003) 'Synthesis and characterisation of novel methyl methacrylate-2-(dimethylamino)ethyl methacrylate copolymer salts containing polymerisable anions'. POLYMER, 44 (14), pp. 3775-3784.
  • Hamerton I, Hay JN, Howgate G, Howlin BJ, O'Gara P. (2003) 'A novel phenylethynyl-terminated siloxane: Synthesis and electron beam cure'. HIGH PERFORMANCE POLYMERS, 15 (1), pp. 143-154.
  • Allington RD, Attwood D, Hamerton I, Hay JN, Howlin BJ. (2003) 'New force-field parameters for molecular simulations of s-triazine and cyanurate-containing systems. 2 - Application and comparison with different simulation methods'. POLYMER, 44 (3) Article number PII S0032-3861(02)00707-3 , pp. 793-799.
  • Hamerton I, Howlin BJ, Klewpatinond P, Takeda S. (2002) 'Studies on a dicyanate containing four phenylene rings and polycyanurate blends. 1. Synthesis and polymerization of the monomers and characterization of the polymer blends using thermal and mechanical methods'. POLYMER, 43 (21) Article number PII S0032-3861(02)00440-8 , pp. 5737-5748.
  • Lu SY, Hamerton I. (2002) 'Recent developments in the chemistry of halogen-free flame retardant polymers'. PROGRESS IN POLYMER SCIENCE, 27 (8) Article number PII S0079-6700(02)00018-7 , pp. 1661-1712.
  • Hamerton I, Howlin BJ, Klewpatinond P, Takeda S. (2002) 'Conformational studies of polycyanurates: a study of internal stress versus molecular structure'. POLYMER, 43 (17) Article number PII S0032-3861(02)00297-5 , pp. 4599-4604.
  • Cunningham ID, Danks TN, Hay JN, Hamerton I, Gunathilagan S, Janczak C. (2002) 'Stability of various metalloporphyrin catalysts during hydrogen peroxide epoxidation of alkene'. JOURNAL OF MOLECULAR CATALYSIS A-CHEMICAL, 185 (1-2) Article number PII S1381-1169(02)00057-2 , pp. 25-31.
  • Hill S, Hamerton I, Hay JN, Howlin BJ. (2002) 'Modelling the structural and physicomechanical properties of substituted poly(p-phenylene)s using molecular mechanical and molecular orbital methods'. POLYMER, 43 (15) Article number PII S0032-3861(02)00244-6 , pp. 4103-4110.
  • Hamerton I, Hay JN, Herman H, Howlin BJ, Jepson P, Gillies DG. (2002) 'The development of controllable complex curing agents for epoxy resins. II. Examining the dissociation and thermal behavior of transition metal-diamine complex-epoxy blends'. JOURNAL OF APPLIED POLYMER SCIENCE, 84 (13), pp. 2411-2424.
  • Hamerton I, Herman H, Mudhar AK, Chaplin A, Shaw SJ. (2002) 'Multivariate analysis of spectra of cyanate ester/bismaleimide blends and correlations with properties'. POLYMER, 43 (11) Article number PII S0032-3861(02)00092-7 , pp. 3381-3386.
  • Georgiades A, Hamerton I, Hay JN, Shaw SJ. (2002) 'N-(2-biphenylenyl)-4-[2 '-phenylethynyl] phthalimide - New monomer synthesis, cure and thermal properties of resulting high temperature polymer'. POLYMER, 43 (6), pp. 1717-1725.
  • Hamerton I, Howlin BJ, Jepson P. (2002) 'Metals and coordination compounds as modifiers for epoxy resins'. COORDINATION CHEMISTRY REVIEWS, 224 (1-2), pp. 67-85.
  • Hamerton I, Klewpatinond P. (2001) 'Synthesis and characterization of functionalized thermoplastics as reactive modifiers for bismaleimide resins'. POLYMER INTERNATIONAL, 50 (12), pp. 1309-1317.
  • Cunningham ID, Danks TN, Hay JN, Hamerton I, Gunathilagan S. (2001) 'Evidence for parallel destructive, and competitive epoxidation and dismutation pathways in metalloporphyrin-catalysed alkene oxidation by hydrogen peroxide'. TETRAHEDRON, 57 (31), pp. 6847-6853.
  • Hamerton I. (2001) 'An electrifying future for plastics'. CHEMISTRY & INDUSTRY, (12), pp. 369-370.
  • Hamerton I, Hay JN, Howlin BJ, Jepson P, Mortimer S. (2001) 'The development of controllable complex curing agents for epoxy resins. I. Preparation, characterization, and storage behavior of transition metal-diamine complexes'. JOURNAL OF APPLIED POLYMER SCIENCE, 80 (9), pp. 1489-1503.
  • Hamerton I, Herman H, Rees KT, Chaplin A, Shaw SJ. (2001) 'Water uptake effects in resins based on alkenyl-modified cyanate ester-bismaleimide blends'. POLYMER INTERNATIONAL, 50 (4), pp. 475-483.
  • Hamerton I, Barton JM, Chaplin A, Howlin BJ, Shaw SJ. (2001) 'The development of novel functionalised aryl cyanate esters. Part 2. Mechanical properties of the polymers and composites'. POLYMER, 42 (6), pp. 2307-2319.
  • Allington RD, Attwood D, Hamerton I, Hay JN, Howlin BJ. (2001) 'New force-field parameters for use in molecular simulations of s-triazine and cyanurate-containing systems. 1 - derivation and molecular structure synopsis'. COMPUTATIONAL AND THEORETICAL POLYMER SCIENCE, 11 (6), pp. 467-473.
  • Tilbrook DA, Howlin BJ, Hamerton I. (2001) 'Assessment of two methods for application in the prediction of the infrared spectra of polymers'. COMPUTATIONAL AND THEORETICAL POLYMER SCIENCE, 11 (4), pp. 287-302.
  • Chaplin A, Hamerton I, Herman H, Mudhar AK, Shaw SJ. (2000) 'Studying water uptake effects in resins based on cyanate ester/bismaleimide blends'. POLYMER, 41 (11), pp. 3945-3956.
  • Hamerton I, Takeda S. (2000) 'A study of the polymerization of novel cyanate ester/acrylate blends'. POLYMER, 41 (5), pp. 1647-1656.
  • Hamerton I, Hay JN, Jones JR, Lu SY. (2000) 'Covalent incorporation of 2,5-diphenyloxazole in sol-gel matrices and their application in radioanalytical chemistry'. CHEMISTRY OF MATERIALS, 12 (2), pp. 568-572.
  • Brown J, Hamerton I, Howlin BJ. (2000) 'Preparation, characterization, and thermal properties of controllable metal-imidazole complex curing agents for epoxy resins'. JOURNAL OF APPLIED POLYMER SCIENCE, 75 (2), pp. 201-217.
  • Hamerton I, Hay JN, Jones JR, Lu SY. (2000) 'Radiochemical studies of the leaching of primary scintillator molecules from within sol-gel glasses'. JOURNAL OF MATERIALS CHEMISTRY, 10 (8), pp. 1761-1764.
  • Pielichowski K, Hamerton I. (2000) 'Compatible poly(vinyl chloride)/chlorinated polyurethane blends: thermal characteristics'. EUROPEAN POLYMER JOURNAL, 36 (1), pp. 171-181.
  • Bader MG, Hamerton I, Hay JN, Kemp M, Winchester S. (2000) 'Double cantilever beam testing of repaired carbon fibre composites'. COMPOSITES PART A-APPLIED SCIENCE AND MANUFACTURING, 31 (6), pp. 603-608.
  • Barton JM, Chaplin A, Hamerton I, Howlin BJ. (1999) 'A new synthetic route for the preparation of alkenyl functionalized aryl cyanate ester monomers'. POLYMER, 40 (19), pp. 5421-5427.
  • Howlin BJ, Allington RD, Attwood DA, Hamerton I, Hay JN. (1999) 'Combined molecular simulation and experimental determination of the interfacial forces in carbon fiber resin composites.'. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 218, pp. U681-U681.
  • Hamerton I, Howlin BJ. (1999) 'Computer modelling and chemical kinetics of the cure of aerospace resin systems'. AIRCRAFT ENGINEERING AND AEROSPACE TECHNOLOGY, 71 (5), pp. 470-478.
  • Hamerton I, Hay JN. (1998) 'Recent developments in the chemistry of cyanate esters'. POLYMER INTERNATIONAL, 47 (4), pp. 465-473.
  • Hamerton I, Hay JN, Jones JR, Lu SY. (1998) 'Preparation of 2,5-diphenyloxazole doped sol-gel glasses and their application to radio-analytical chemistry'. JOURNAL OF MATERIALS CHEMISTRY, 8 (11), pp. 2429-2432.
  • Hamerton I, Hay JN. (1998) 'Recent technological developments in cyanate ester resins'. HIGH PERFORMANCE POLYMERS, 10 (2), pp. 163-174.
  • Hamerton I, Hay JN, Howlin BJ, Jones JR, Lu SY. (1998) 'Molecular modelling of interactions at the composite interface between surface-treated carbon fibre and polymer matrices: the influence of surface functional groups'. JOURNAL OF MATERIALS CHEMISTRY, 8 (6), pp. 1333-1337.
  • Barton JM, Hamerton I, Howlin BJ, Jones JR, Liu SY. (1998) 'Studies of cure schedule and final property relationships of a commercial epoxy resin using modified imidazole curing agents'. POLYMER, 39 (10), pp. 1929-1937.
  • Pielichowski K, Hamerton I, Pielichowski J, Stanczyk P. (1998) 'A study of the thermal properties of blends of poly(vinyl chloride) with novel epoxypropanecarbazole-based dyes by TGA/FTIR'. EUROPEAN POLYMER JOURNAL, 34 (5-6), pp. 653-657.
  • Allington RD, Attwood D, Hamerton I, Hay JN, Howlin BJ. (1998) 'Atomistic modelling of interfacial chemistry in carbon fibre-reinforced composites'. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 215, pp. U338-U338.
  • Aspin IP, Hamerton I, Howlin BJ, Jones JR, Parker MJ. (1998) 'The computer modelling and the chemical kinetics of the rate of cure of epoxy resins'. JOCCA - Surface Coatings International, 81 (2), pp. 68-71.

    Abstract

    An important factor in the cure of epoxy resins is a knowledge of their rates of reaction. By a combination of chemical kinetics and computer modelling, actual rates of reaction can be determined for many epoxy systems. These rates can be used both to guide cure cycles and shelf life and also to ìdesignî and tailor epoxies for specific uses. New research on the applications of this technique to several epoxy systems are described.

  • Aspin IP, Hamerton I, Howlin BJ, Jones JR, Parker MJ. (1998) 'The computer modelling and the chemical kinetics of the rate of cure of epoxy resins'. JOCCA-SURFACE COATINGS INTERNATIONAL, 81 (2), pp. 68-+.
  • Rabias I, Hamerton I, Howlin BJ, Foot PJS. (1998) 'Theoretical studies of conducting polymers based on substituted polypyrroles'. COMPUTATIONAL AND THEORETICAL POLYMER SCIENCE, 8 (3-4), pp. 265-271.
  • Pielichowski K, Hamerton I. (1998) 'TGA/FTi.r. studies on the thermal stability of poly(vinyl chloride) blends with a novel colourant and stabilizer: 3-(2,4-dichlorophenylazo)-9-(2,3-epoxypropane)carbazole'. POLYMER, 39 (1), pp. 241-244.
  • Cunningham ID, Brownhill A, Hamerton I, Howlin BJ. (1997) 'The ene reaction between maleimides and allyl-substituted aromatics'. TETRAHEDRON, 53 (39), pp. 13473-13494.
  • Hamerton I, Hay JN, Howlin BJ, Jones JR, Lu SY, Webb GA, Bader MG. (1997) 'A tritium-hydrogen exchange procedure for determining the concentration of exchangeable sites on PAN based carbon fibres'. HIGH PERFORMANCE POLYMERS, 9 (3), pp. 281-290.
  • Hamerton I, Hay JN, Howlin BJ, Jones JR, Lu SY, Webb GA, Bader MG, Brown AM, Watts JF. (1997) 'ToF SIMS and XPS studies of carbon fiber surface during electrolytic oxidation in O-17/O-18 enriched aqueous electrolytes'. CHEMISTRY OF MATERIALS, 9 (9), pp. 1972-1977.
  • Barton JM, Deazle AS, Hamerton I, Howlin BJ, Jones JR. (1997) 'The application of molecular simulation to the rational design of new materials .2. Prediction of the physico-mechanical in properties of linear epoxy systems'. POLYMER, 38 (17), pp. 4305-4310.
  • Hamerton I, Alsop S. (1997) 'Teaching models'. CHEMISTRY IN BRITAIN, 33 (7), pp. 20-20.
  • Hamerton I, Hay JN, Howlin BJ, Jones JR, Lu SY, Webb GA, Bader MG. (1997) 'Probing the cure of C-13 labelled bisphenol A dicyanate ester in carbon fibre reinforced composites using solid state C-13 NMR, SEM and FTIR'. POLYMER BULLETIN, 38 (4), pp. 433-438.
  • Hamerton I, Hay JN, Howlin BJ, Jones JR, Lu SY, Webb GA, Bader MG. (1997) 'Molecular modelling of interactions at the composite interfaces between electrolytically surface-treated carbon fibre and epoxy resin'. JOURNAL OF MATERIALS CHEMISTRY, 7 (1), pp. 169-174.
  • Barton JM, Hamerton I, Howlin BJ, Jones JR, Liu SY. (1996) 'Studies of temperature and time-dependent network formation in commercial epoxy resins using modified imidazole curing agents'. POLYMER INTERNATIONAL, 41 (2), pp. 159-168.
  • Deazle AS, Hamerton I, Heald CR, Howlin BJ. (1996) 'Molecular modelling of high performance polymers'. POLYMER INTERNATIONAL, 41 (2), pp. 151-157.
  • Hamerton I. (1996) 'High performance polymers'. POLYMER INTERNATIONAL, 41 (2), pp. 101-102.
  • Barton JM, Hamerton I, Jones JR, Stedman JC. (1996) 'Mechanical properties of tough, high temperature carbon fibre composites from novel functionalized aryl cyanate ester polymers'. POLYMER, 37 (20), pp. 4519-4528.
  • Aspin IP, Hamerton I, Howlin BJ, Jones JR, Parker MJ, Russell JC, Vick TA. (1996) 'Development and application of radio-size-exclusion chromatography'. JOURNAL OF CHROMATOGRAPHY A, 727 (1), pp. 61-70.
  • Hamerton I, Heald CR, Howlin BJ. (1996) 'Molecular modelling of the physical and mechanical properties of two polycyanurate network polymers'. Journal of Materials Chemistry, 6 (3), pp. 311-314.
  • Hamerton I, Heald CR, Howlin BJ. (1996) 'Molecular simulation of the comparative flexibility of bridging linkages in poly(aryl ether sulfone)s and poly(aryl ether ketone)s from a study of isolated oligomers'. MACROMOLECULAR THEORY AND SIMULATIONS, 5 (2), pp. 305-320.
  • Hamerton I, Heald CR, Howlin BJ. (1996) 'Molecular modelling of a polyarylethersulfone under bulk conditions'. MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING, 4 (2), pp. 151-159.
  • Hamerton I, Howlin BJ, Jones JR, Liu SY, Barton JM. (1996) 'Preparation of metal aromatic diamine complexes and their influence on the cure of a commercial epoxy resin'. POLYMER BULLETIN, 36 (3), pp. 295-302.
  • Hamerton I. (1996) 'High-performance thermoset-thermoset polymer blends: A review of the chemistry of cyanate ester-bismaleimide blends'. HIGH PERFORMANCE POLYMERS, 8 (1), pp. 83-95.
  • PIELICHOWSKI K, PIELICHOWSKI L, HAMERTON I. (1995) 'DEGRADATION OF POLY(VINYL CHLORIDE) IN THE PRESENCE OF 9-(2,3-EPOXYPROPANE)CARBAZOLE STUDIED BY MEANS OF TCA/FTIR'. JOURNAL OF APPLIED POLYMER SCIENCE, 57 (9), pp. 1025-1030.
  • Hamerton I, Howlin BJ, Larwood V. (1995) 'Development of quantitative structure property relationships for poly(arylene ether)s.'. J Mol Graph, UNITED STATES: 13 (1), pp. 14-51.

    Abstract

    The technique of quantitative structure-activity relationships (QSAR) is well accepted by the drug design community. The analogous technique of quantitative structure-property relationships (QSPR) has applications in the field of polymer chemistry. A variety of molecular modeling and molecular orbital techniques was used to find molecular descriptors that could be used to derive an empirical equation to describe the glass transition temperature of two related classes of poly(arylene ether)s. The derived equation was then used to predict the thermal characteristics of another polymer of the same type.

  • BUIST GJ, HAMERTON I, HOWLIN BJ, JONES J, LIU SY, BARTON JM. (1994) 'COMPARATIVE KINETIC ANALYSES FOR EPOXY-RESINS CURED WITH IMIDAZOLE METAL-COMPLEXES'. JOURNAL OF MATERIALS CHEMISTRY, 4 (12), pp. 1793-1797.
  • CUNNINGHAM ID, BROWNHILL A, HAMERTON I, HOWLIN BJ. (1994) 'KINETICS AND MECHANISM OF THE TITANIUM TETRACHLORIDE-CATALYZED CYCLOTRIMERIZATION OF ARYL CYANATES'. JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2, (9), pp. 1937-1943.
  • CHAPLIN A, HAMERTON I, HOWLIN BJ, BARTON JM. (1994) 'DEVELOPMENT OF NOVEL FUNCTIONALIZED ARYL CYANATE ESTER OLIGOMERS .1. SYNTHESIS AND THERMAL CHARACTERIZATION OF THE MONOMERS'. MACROMOLECULES, 27 (18), pp. 4927-4935.
  • BROWNHILL A, CUNNINGHAM ID, HAMERTON I, HOWLIN BJ. (1994) 'AN INVESTIGATION INTO THE CYCLOTRIMERIZATION MECHANISM OF ARYL CYANATE ESTERS'. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 208, pp. 438-PMSE.
  • CHAPLIN A, HAMERTON I, HOWLIN BJ, BARTON JM. (1994) 'THERMAL-PROPERTIES OF FUNCTIONALIZED ARYL CYANATE ESTER OLIGOMERS'. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 208, pp. 439-PMSE.
  • HAMERTON I. (1994) 'PROPERTIES OF UNREINFORCED CYANATE ESTER MATRIX RESINS'. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 208, pp. 301-PMSE.
  • HAMERTON I, JONES J, BARTON JM. (1994) 'THE CO-REACTION OF FUNCTIONALIZED ARYL CYANATE ESTERS WITH BIS-MALEIMIDES'. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 208, pp. 437-PMSE.
  • BARTON JM, HAMERTON I, HOWLIN BJ, JONES J, LIU SY. (1994) 'THE DEVELOPMENT OF CONTROLLABLE METAL-CHELATE CURING AGENTS WITH IMPROVED STORAGE STABILITY'. POLYMER BULLETIN, 33 (3), pp. 347-353.
  • BARTON JM, BUIST GJ, HAMERTON I, HOWLIN BJ, JONES J, LIU SY. (1994) 'HIGH-TEMPERATURE H-1-NMR STUDIES OF EPOXY CURE - A NEGLECTED TECHNIQUE'. POLYMER BULLETIN, 33 (2), pp. 215-219.
  • ASPIN IP, BARTON JM, BUIST GJ, DEAZLE AS, HAMERTON I, HOWLIN BJ, JONES J. (1994) 'KINETIC AND SIMULATION STUDIES OF LINEAR EPOXY SYSTEMS'. JOURNAL OF MATERIALS CHEMISTRY, 4 (3), pp. 385-388.
  • BARTON JM, BUIST GJ, HAMERTON I, HOWLIN BJ, JONES J, LIU SU. (1994) 'PREPARATION AND CHARACTERIZATION OF IMIDAZOLE-METAL COMPLEXES AND EVALUATION OF CURED EPOXY NETWORKS'. JOURNAL OF MATERIALS CHEMISTRY, 4 (3), pp. 379-384.
  • Barton JM, Hamerton I, Rose JB, Warner D. (1994) 'Synthesis, characterization and polymerization kinetic study of a series of related addition polyimides'. High Performance Polymers, 6 (1), pp. 21-34.

    Abstract

    A series of eight addition polymides (aspartimides) was prepared in which the imide and amino groups were attached to the ends of aromatic residues containing two or four phenylene rings. The co-monomers (bis-maleimides, BMIs, and diamines) were purified using column chromatography before being fully characterized by spectroscopic techniques. The thermally induced Michael addition and polymerization reactions of the blended co-monomers were monitored using differential scanning calorimetry (DSC) at several heating rates to enable the kinetics of the processes to be investigated. The thermal stabilities of the thermoset products of these aspartimides were evaluated by thermogravimetric analysis (TGA). Dynamic mechanical thermal analysis (DMTA) was employed to test the physical properties of the neat resins.

  • BARTON JM, BUIST GJ, DEAZLE AS, HAMERTON I, HOWLIN BJ, JONES J. (1994) 'THE APPLICATION OF MOLECULAR SIMULATION TO THE RATIONAL DESIGN OF NEW MATERIALS .1. STRUCTURE AND MODELING STUDIES OF LINEAR EPOXY SYSTEMS'. POLYMER, 35 (20), pp. 4326-4333.
  • HAMERTON I, PIELICHOWSKI J, PIELICHOWSKI K. (1994) 'A STUDY OF THE THERMAL-DEGRADATION OF POLY(VINYL CHLORIDE) IN THE PRESENCE OF CARBAZOLE AND POTASSIUM CARBAZOLE USING TGA/FTIR'. POLYMER, 35 (2), pp. 336-338.
  • ABRAHAM MH, ANDONIANHAFTVAN J, HAMERTON I, POOLE CF, KOLLIE TO. (1993) 'HYDROGEN-BONDING .28. COMPARISON OF THE SOLVATION THEORIES OF ABRAHAM AND POOLE, USING A NEW ACIDIC GAS-LIQUID-CHROMATOGRAPHY STATIONARY-PHASE'. JOURNAL OF CHROMATOGRAPHY, 646 (2), pp. 351-360.
  • BARTON JM, HAMERTON I, THOMPSON CP. (1993) 'A STUDY OF THE POLYMERIZATION BEHAVIOR OF N-(4-PHENOXY)-PHENYLMALEIMIDE USING DSC ANALYSIS'. POLYMER BULLETIN, 30 (5), pp. 521-527.
  • BARTON JM, HAMERTON I, JONES J. (1993) 'A STUDY OF THE THERMAL AND DYNAMIC MECHANICAL-PROPERTIES OF FUNCTIONALIZED ARYL CYANATE ESTERS AND THEIR POLYMERS'. POLYMER INTERNATIONAL, 31 (1), pp. 95-106.
  • HAMERTON I, JONES J, POVEY DC, SMITH GW, BARTON JM. (1992) 'STRUCTURE OF 2,2'-BIS(3-ALLYL-4-CYANATOPHENYL)ISOPROPYLIDENE'. JOURNAL OF CRYSTALLOGRAPHIC AND SPECTROSCOPIC RESEARCH, 22 (1), pp. 101-108.
  • BARTON JM, HAMERTON I, JONES J. (1992) 'THE SYNTHESIS, CHARACTERIZATION AND THERMAL-BEHAVIOR OF FUNCTIONALIZED ARYL CYANATE ESTER MONOMERS'. POLYMER INTERNATIONAL, 29 (2), pp. 145-156.
  • BARTON JM, HAMERTON I, ROSE JB, WARNER D. (1992) 'STUDIES ON A SERIES OF BIS-ARYLIMIDES CONTAINING 4 PHENYLENE RINGS AND THEIR POLYMERS .3. KINETIC-ANALYSIS OF THE THERMAL POLYMERIZATIONS'. POLYMER, 33 (17), pp. 3664-3669.
  • BARTON JM, HAMERTON I, JONES J, STEDMAN JC. (1991) 'A COMPARATIVE-STUDY OF THE RELATIVE REACTIVITY OF ALKENYL-FUNCTIONALIZED TOUGHENING MODIFIERS FOR BIS-MALEIMIDES'. POLYMER BULLETIN, 27 (2), pp. 163-170.
  • ABRAHAM MH, HAMERTON I, ROSE JB, GRATE JW. (1991) 'HYDROGEN-BONDING .18. GAS-LIQUID-CHROMATOGRAPHIC MEASUREMENTS FOR THE DESIGN AND SELECTION OF SOME HYDROGEN-BOND ACIDIC PHASES SUITABLE FOR USE AS COATINGS ON PIEZOELECTRIC SORPTION DETECTORS'. JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2, (9), pp. 1417-1423.
  • BARTON JM, GREENFIELD DCL, HAMERTON I, JONES J. (1991) 'A STUDY OF THE CYCLOTRIMERIZATION AND POLYMERIZATION OF ARYL CYANATES USING C-13 AND N-15 NUCLEAR-MAGNETIC-RESONANCE SPECTROSCOPY, FOURIER-TRANSFORM INFRARED-SPECTROSCOPY AND DIFFERENTIAL SCANNING CALORIMETRY'. POLYMER BULLETIN, 25 (4), pp. 475-482.
  • BARTON JM, HAMERTON I, ROSE JB, WARNER D. (1991) 'STUDIES ON A SERIES OF BISARYLIMIDES CONTAINING 4 PHENYLENE RINGS AND THEIR POLYMERS .1. SYNTHESIS AND CHARACTERIZATION OF THE MONOMERS'. POLYMER, 32 (2), pp. 358-363.
  • BARTON JM, HAMERTON I, ROSE JB, WARNER D. (1991) 'STUDIES ON A SERIES OF BIS-ARYLIMIDES CONTAINING 4 PHENYLENE RINGS AND THEIR POLYMERS .2. POLYMERIZATION OF MONOMERS AND THERMAL-ANALYSIS OF THE POLYMERS'. POLYMER, 32 (13), pp. 2482-2490.
  • DAVIES JMR, HAMERTON I, JONES J, POVEY DC, BARTON JM. (1990) 'STRUCTURE OF 2,2'-BIS(4-CYANATOPHENYL)ISOPROPYLIDENE'. JOURNAL OF CRYSTALLOGRAPHIC AND SPECTROSCOPIC RESEARCH, 20 (3), pp. 285-289.
  • ABRAHAM MH, GRELLIER PL, HAMERTON I, MCGILL RA, PRIOR DV, WHITING GS. (1988) 'SOLVATION OF GASEOUS NON-ELECTROLYTES'. FARADAY DISCUSSIONS, 85, pp. 107-115.

Conference papers

  • Hamerton I, Crawford AO, Howlin BJ, Cavalli G. 'Novel cayanate ester blends: simulation and experimental thermo-mechanical performance'. Niagara Falls: 4th International Symposium on Thermosets Baekeland 2013
    [ Status: Unpublished ]
  • Hamerton I. (2013) 'Thermosetting and thermoplastic polymer matrices for composites'. SW Composites Gateway Dartington Hall, Totnes: Life Cycle Assessment of Composites
  • Hamerton I, Crawford AO, Howlin BJ, Cavalli G. (2013) 'Examining the thermo-mechanical properties of novel cyanate ester blends through empirical measurement and simulation'. Berlin : Fraunhofer IZM Berlin Proceedings of the 3rd International Conference on Thermosets, Berlin: Thermosets 2013 From Monomers to Components 1 (1), pp. 182-185.
  • Hamerton I, Anguita JV, Silva SRP. (2013) 'Towards the rational design of polymers using molecular simulation: predicting the effect of cure schedule on thermo-mechanical properties for a cycloaliphatic amine-cured epoxy resin'. Berlin : Fraunhofer IZM Berlin Proceedings of the Aristotelian Society, Berlin: Thermosets 2013 From Monomers to Components 1 (1), pp. 235-238.
  • Hamerton I, Thompson S, Howlin BJ, Stone CA. (2013) 'Examining the thermal stability and degradation mechanisms of polybenzoxazines and the physical properties of the resulting chars'. Berlin : Fraunhofer IZM Berlin Berlin: Thermosets 2013 From Monomers to Components 1 (1), pp. 44-47.
  • Hamerton I, Howlin BJ, Wan Hassan WA. (2013) 'Towards the rational design of polybenzoxazines using molecular simulation'. Berlin : Fraunhofer IZM Berlin Proceedings of the 3rd International Conference on Thermosets, Berlin: Thermosets 2013 From Monomers to Components 1 (1), pp. 21-23.
  • Hamerton I, McNamara LT, Howlin BJ. (2013) 'Examining the effects of selected additives on the polymerisation mechanism and network development in aromatic polybenzoxazines'. Indianapolis: 246th American Chemical Society National Meeting and Exposition
    [ Status: Unpublished ]
  • Hamerton I, Thompson S, Howlin BJ, Stone CA. (2013) 'Examining the thermal stability and degradation mechanisms of polybenzoxazines'. Indianapolis: 246th American Chemical Society National Meeting and Exposition
    [ Status: Unpublished ]
  • Hamerton I, Howlin BJ, Crawford AO, Cavalli G. (2013) 'Studying the thermal and mechanical properties of high performance cyanate ester blends'. Niagara Falls: 4th International Symposium on Thermosets Baekeland 2013
    [ Status: Unpublished ]
  • Hamerton I. (2011) 'The development of advanced nanocomposites based on high performance polymers'. National Exhibition Centre Birmingham: Composites Engineering Show
    [ Status: Unpublished ]
  • Hamerton I, Mitchell AL, Howlin BJ. (2011) 'Examining bulk properties of polybenzoxazines'. Stuttgart : Fraunhofer Verlag Proceedings of 2nd International Conference on Thermosets: From Monomers to Components, Berlin: 2nd International Conference on Thermosets: From Monomers to Components, pp. 66-68.
  • Hamerton I, McNamara LT, Howlin BJ, Smith PA, Ward S, Cross P. (2011) 'Empirical study of the cure of commercially available benzoxazines and initiators using thermo-mechanical and spectroscopic techniques'. Stuttgart : Fraunhofer Verlag Proceedings of the 2nd International Conference on Thermosets, Berlin: Thermosets 2011 From Monomers to Components 1 (1), pp. 216-218.
  • Hamerton I, Hall SA, Howlin BJ, Billaud C, Ward S. (2011) 'Development of thermoset modelling and simulation analysis techniques, with a focus towards epoxies'. Stuttgart : Fraunhofer Verlag Proceedings of the 2nd International Conference on Thermosets., Berlin: Thermosets 2011 From Monomers to Components 1 (1), pp. 59-61.
  • Hamerton I, Hall SA, Mitchell AL, Howlin BJ. (2010) 'Using structure property relationships in the understanding and molecular design of inherently tough polybenzoxazines'. San Francisco: 239th American Chemical Society National Meeting and Exposition
    [ Status: Unpublished ]

    Abstract

    Bisbenzoxazines form highly crosslinked, network structures with relatively high Tg (180oC+) and thermal oxidative stability but inherent brittleness (G1C = 168 J/m2) - limiting their applications. We have used synthetic polymer chemistry and molecular simulation to probe the structure/property relationships in model and commercial systems with the aim of understanding the factors governing toughness in these materials. Our previous experience, gained over 20 years, leads us to ensure that the molecular model represents as accurately as possible the real network, e.g. incorporating molecular defects derived from empirical data. We report the preparation and characterisation of selected bisbenzoxazine monomers chosen to exemplify both brittle and tough behaviour to provide a wide spectrum of mechanical characteristics and produce a wider understanding of the factors affecting brittleness. This enables us to design and execute the synthesis of new monomers with the potential for enhanced fracture toughness based on rational molecular design.

  • Hamerton I, Howlin BJ. (2009) 'Modern developments in molecular simulation: Studying network development and final properties in high performance polymers'. Berlin : Fraunhofer IZM Berlin Proceedings of the 1st International Conference Thermosets 2009: From Monomers to Components, Berlin: Thermosets 2009: From Monomers to Components (11), pp. 28-30.
  • Hamerton I, Hay JN, Howlin BJ, Howgate GJ. (2001) 'Studies of electron and proton beam curing of epoxy resins'. Proceedings of Polymers in the Third Millennium, Montpellier: Polymers in the Third Millennium (1)
  • Hamerton I, Hay J N , Jones J R , Lu S Y . (2001) 'Developments and application of new sol-gel based scintillators'. LCS 2001, Proceedings of the International Liquid Scintillation Spectrometry Conference, Karlsruhe: International Liquid Scintillation Spectrometry Conference, pp. 137-139.
  • Hamerton I, Hay J N , Howlin BJ, Howgate GJ, O'Gara PM. (2001) 'Electron beam cure of phenylethynyl-terminated oligomers'. Proceedings of Polymer '01 IoM Communications, Bath: Polymer '01, pp. 288-290.
  • Hamerton I, Hay JN, Jones JR, Lu SY. (2001) 'Sol-gel matrices doped with 2,5-diphenyloxazole - development towards a solid tritium sensor'. Chichester : John Wiley Proceedings of the 7th International Symposium Synthesis and Applications of Isotopically Labelled Compounds, Dresden: 7th International Symposium Synthesis and Applications of Isotopically Labelled Compounds 7 (1)
  • Hay JN, Hamerton I, Howlin BJ, Howgate GJ, O'Gara PM, Repecka L, Saremi FF. (2001) 'Electron-beam cure of phenylethynyl-terminated oligomers.'. SOC ADVANCEMENT MATERIAL & PROCESS ENGINEERING 2001: A MATERIALS AND PROCESSES ODYSSEY, BOOKS 1 AND 2, LONG BEACH, CA: 46th International SAMPE Symposium and Exhibition 46, pp. 2140-2146.
  • Allington RD, Attwood D, Hamerton I, Hay JN, Howlin BJ. (1998) 'A model of the surface of oxidatively treated carbon fibre based on calculations of adsorption interactions with small molecules'. ELSEVIER SCI LTD COMPOSITES PART A-APPLIED SCIENCE AND MANUFACTURING, EGER, HUNGARY: 5th International Conference on Interfacial Phenomena in Composite Materials 29 (9-10), pp. 1283-1290.
  • Hamerton I, Hay J N , Shaw S J . (1997) 'Developments in Thermoset Composites - Technology Transfer from Aerospace?'. Proceedings of the 30th ISATA, Florence: 30th ISATA
  • Hamerton I, Aspin I P , Howlin B J , Jones J R , Parker M J . (1997) 'Kinetic and computer modelling of epoxy resin cure'. Proceedings of the Conference on Epoxy Technologies for Ambient Cure Protective Coatings, Brussels: Epoxy Technologies for Ambient Cure Protective Coatings (1)
  • Hamerton I, Kamyszek G , Howlin B J , Garbarczyk J . (1997) 'Prediction of Tg of polyarylethersulphones'. Proceedings of the Europhysics Conference on Macromolecular Physics and 4th International Symposium on Thermoplastic Elastomers, Kolobrzeg Poland: Europhysics Conference on Macromolecular Physics and 4th International Symposium on Thermoplastic Elastomers 21A
  • Hamerton I, Hay JN, Howlin BJ, Jones J R , Lu S Y , Webb G A , Bader M G . (1996) 'Surface analysis of carbon fibres using a tritium-hydrogen exchange procedure'. London : 7th European Conference on Composite Materials 'Realising their Commercial Potential', London: 7th European Conference on Composite Materials 'Realising their Commercial Potential' 2 (1), pp. 435-439.
  • Hamerton I, Heald CR, Howlin BJ. (1996) 'Molecular modelling of the physical and mechanical properties of two polycyanurate network polymers'. ROYAL SOC CHEMISTRY JOURNAL OF MATERIALS CHEMISTRY, KENT, ENGLAND: 2nd International Conference on Materials Chemistry (MC2) 6 (3), pp. 311-314.
  • Hamerton I, Howlin BJ, Jones JR, Liu SY, Barton JM. (1996) 'Effect of complexation with copper(II) on cured neat resin properties of a commercial epoxy resin using modified imidazole curing agents'. ROYAL SOC CHEMISTRY JOURNAL OF MATERIALS CHEMISTRY, KENT, ENGLAND: 2nd International Conference on Materials Chemistry (MC2) 6 (3), pp. 305-310.
  • Hamerton I, Deazle A S , Heald C R , Howlin B J , Barton J M . (1995) 'Calculations of the physical and mechanical properties of polymers from computer simulation'. Proceedings of the SPSJ 44th Annual Meeting Polymer Preprints Japan (English Edition), Yokohama: SPSJ 44th Annual Meeting 44 (1), pp. E11-E11.
  • Hamerton I, Brownhill A, Cunningham ID, Howlin BJ. (1994) 'An investigation into the cyclotrimerisation mechanism of aryl cyanate esters'. Washington DC : American Chemical Society Proceedings of the American Chemical Society Division of PMSE, Washington DC: American Chemical Society 208th National Fall Meeting 71, pp. 809-810.
  • Hamerton I, Jones JR, Barton JM. (1994) 'The co-reaction of functionalised aryl cyanate esters with bis-maleimides'. Washington DC : American Chemical Society Proceedings of the ACS Division of PMSE, Washington DC: American Chemical Society 208th National Fall Meeting 71, pp. 807-808.
  • Hamerton I. (1994) 'Properties of Unreinforced Cyanate Ester Matrix Resins'. Washington DC : American Chemical Society PMSE Polymer Preprints, Washington DC: American Chemical Society National Fall Meeting 71 (1), pp. 556-556.
  • Hamerton I, Chaplin A, Howlin BJ. (1994) 'Thermal properties of functionalised aryl cyanate ester oligomers'. Washington DC : American Chemical Society Proceedings of the American Chemical Society Division of PMSE, Washington DC: American Chemical Society 208th National Fall Meeting 71, pp. 811-812.
  • Hamerton I, Barton JM, Rose J B , Warner D . (1991) 'A comparative study of the thermal behaviour of some bis-maleimides and bis-citraconimides'. Amsterdam : Elsevier Applied Science Proceedings of the 2nd European Symposium on Polyimides and High Temperature Polymers (STEPI 2), Montpellier: 2nd European Symposium on Polyimides and High Temperature Polymers (STEPI 2) 1 (1), pp. 283-292.

Books

  • Hamerton I, Azapagic A, Emsley AM. (2006) Polymers, the Environment and Sustainable Development. John Wiley , pp. i-221.
  • Hamerton I. (2005) W.A.S. Benson: Arts and Crafts Luminary and Pioneer of Modern Design. Woodbridge : Antiques Collectors' Club
  • Hamerton I, Azapagic A, Emsley AM. (2003) Polymers, the Environment and Sustainable Development. Chichester : John Wiley , pp. i-219.
  • Hamerton I. (1994) Chemistry and Technology of Cyanate Ester Resins. 1st Edition. Glasgow : Blackie Academic and Professional 1, pp. i-357.

Book chapters

  • Hamerton I, Mooring L. (2012) 'The Use of Thermosets in Aerospace Applications'. in Guo Q (ed.) Thermosets: Structure, Properties and Applications Cambridge : Woodhead Publishing Article number 7 , pp. 189-227.
  • Howlin BJ, Hamerton I, Hall S, Mitchell A, McNamara L. (2011) 'Using Molecular Simulation to Predict the Physical and Mechanical Properties of Polybenzoxazines'. in Ishida H, Agag T (eds.) Handbook of Benzoxazine Resins 1st Edition. Elsevier n/a Article number 5

    Abstract

    The aim of this chapter is to introduce the reader to the practical applications of modern molecular simulation techniques with literature examples drawn specifically from the field of polybenzoxazine research. The increases in computational power ensure that it is possible to apply molecular mechanics and molecular dynamics techniques to the visualisation and simulation of comparatively large model structures comprising in some cases more than six thousand atoms (constructed from a repeat unit containing ca. 250 atoms). This, in turn, offers the potential to replicate a variety of physical and mechanical characteristics with a high degree of accuracy and precision. However, the apparent ease with which modelling may be carried out using modern software is beguiling; the need to validate simulations with real, empirical data is essential to ensure that the researcher obtains meaningful results.

  • Hamerton I. (2005) 'Epoxy Resins'. in (ed.) The Encyclopaedia of Chemical Processing New York : Taylor & Francis 1, pp. 911-928.
  • Hamerton I, Hay JN. (1998) 'Structural Polymers'. in Dyson RW (ed.) Specialty Polymers 2nd Edition. London : Blackie Academic and Professional Article number 8 , pp. 200-250.
  • Hamerton I. (1994) 'Properties of Unreinforced Cyanate Ester Resins'. in Hamerton I (ed.) Chemistry and Technology of Cyanate Ester Resins 1st Edition. Glasgow : Blackie Academic and Professional 1 Article number 7 , pp. 193-229.
  • Hamerton I. (1994) 'Introduction to Cyanate Ester Resins'. in Hamerton I (ed.) Chemistry and Technology of Cyanate Ester Resins 1st Edition. Glasgow : Blackie Academic and Professional 1 Article number 1 , pp. 1-6.

Patents

  • Hamerton I, Barton JM, Stedman JC. Novel propenyl-functionalized aromatic compounds. Article number PCT/GB1992/000995

    Abstract

    Novel $i(bis)(3-propenyl-4-cyanatidophenyl) and $i(bis)(3,5-dipropenyl-4-cyanatidophenyl) compounds of respective general formula (I), in which A is H- or CH¿3?-CH=CH-, X is -CH¿2?-, -CR¿2?-, -C(=O)-O-, -Y-, or -Z-(-Y-Z-)¿n?, where R has 1-4 carbon atoms and is alkyl or perfluoroalkyl, Y is a direct bond, O, CO, S, or SO¿2?, Z is arylene (preferably $i(para)- or $i(meta)-phenylene), each Y and Z may be the same or different where occurring more than once, and n is 0 or an integer in the range 1 to about 30 such that the compound has a molecular weight of not more than 10,000 are prepared using as starting material a diallyl or tetra-allyl$i(bis)-phenol containing the desired group X, which is isomerized to the dipropenyl or tetrapropenyl$i(bis)-phenol by heating under reflux with potassium hydroxide in methanol. The phenolic groups are esterified to cyanate ester groups using cyanogen bromide and triethylamine, and the compound having both cyanate and propenyl functions is obtained as predominantly the $i(trans) geometrical isomer. It may be polymerized alone or preferably by co-reaction with $i(bis)-maleimides, $i(bis)-citraconimides, aspartimides, compounds containing epoxide groups or other cyanate esters. The polymeric products may serve as matrix resins for structural composites and laminating resins for microelectronic applications, e.g., in the manufacture of printed circuit boards. Carbon-fibre reinforced laminates incorporating compounds of the invention with commercial $i(bis)-maleimides and cyanate ester monomers were found to display markedly improved mechanical properties, with particular regard to fracture toughness, and processability compared with the homopolymers.

  • Hamerton I, Barton JM, Chaplin A. Unsymmetrical alkenyl cyanate oligomers. Article number PCT/GB1997/002911

    Abstract

    The present invention provides novel oligomers comprising one alkenyl- and one cyanate-functional group of general formula (I) in which X is a group containing an alkenyl double bond and Y is an organic group with a molecular weight of up to about 1000. These oligomers have extensive applications in polymer technology in particular as modifiers for bis-maleimide polymer resins. Modified resins have improved high temperature performance while retaining other mechanical properties making them particularly suited to use in structural composites for use in aeronautical and automotive applications.

  • Hamerton I, Barton JM, Chaplin A. Unsymmetrical alkenyl cyanate oligomers. Article number GB19960022484 19961029

    Abstract

    Novel unsymmetrical oligomers comprising one alkenyl- and one cyanate-functional group of the general formula: in which X is an organic group containing an alkenyl double bond and Y is an organic group with a molecular weight of up to about 1000, have extensive applications in polymer technology in particular as modifiers for bis-maleimide polymer resins. Modified resins have improved high temperature performance while retaining other mechanical properties making them particularly suited to use in structural composites for use in aeronautical and automotive applications.

Reports

  • Hamerton I, Stevens GC. (2008) Advanced Resin Review, A Review of High Performance Resins for Use in Power Generation for Siemens Power Generation. Article number GR153/3008/SPG
    [ Status: Unpublished ]
  • Hamerton I. (1997) Recent Developments in Epoxy Resins. in (ed.) Recent Developments in Epoxy Resins Shawbury : RAPRA Technology Limited Article number 91 , pp. i-176.

Teaching

Teaching duties include Introduction to Polymer Chemistry, Advanced Polymer Chemistry, Industrial Chemistry and Organic Chemistry.  Forensic science teaching includes: Introduction to Forensic Science, forensic workshops, blood typing and blood pattern analysis, analysis of biological fluids.

Modules taught

CHE1033 Fundamentals of Forensic Chemistry
CHE1035 Introduction to Organic Chemistry
CHE1038 Industrial Chemistry
CHE2024 Intermediate Organic Chemistry
CHE2026 Spectroscopy
CHE2028 Chemistry and Technology of Modern Materials
CHE3038 Research Training Experience
CHE3040 Professional and Industrial Skills for Career Development
CHE3051 Topics in Forensic Science
CHE3052 Topics in Polymer Chemistry
CHEM031 Advanced Polymer Materials and Nanotechnology
CHEP004 Personal and Professional Development
CHEP005 Evaluation of placement learning
CHEP006 Transfer of placement learning
ENG2112 Industrial Chemistry
SOC1042 Fundamentals of Forensic Chemistry for Social Scientists

Departmental Duties

Undergraduate Admissions Tutor

Previously, Dr Hamerton has held a variety of Departmental roles, including: Undergraduate Admissions Officer (1992-1997); External Affairs Officer (1997-2001); Programme Coordinator: B.Sc. (Hons.) Chemistry with Science Education (1996-2003); Coordinator of the Level 3 programmes and of the MChem and BSc Chemistry programmes; Senior Professional Training Tutor (2010-2014).  Within the University Dr Hamerton has been a member of the Careers Service Standing Committee (2000-2005), having previously attended the University Residential Accommodation Committee (1992-2000), the University Health and Safety Committee (1997-2000) and the Academic Assembly Policy Committee (1998-2002). He has also had extensive experience as a residential warden (University Court, 1991-1996, and Surrey Court (1997-2000).

Affiliations

Royal Society of Chemistry (Chartered Chemist and Fellow of the Royal Society of Chemistry) CCHEM FRSC

Associate Member of the Institute of Materials

Member of the EPSRC Peer Review College (Materials)

NATO Consultant (Science for Peace Programme)

Editorial Board Member (Polymer International, Wiley).

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