Publications
331 results found
Galindo A, Davies LA, Gil-Villegas A, et al., 1998, The thermodynamics of mixtures and the corresponding mixing rules in the SAFT-VR approach for potentials of variable range, Molecular Physics, Vol: 93, Pages: 241-252
Williamson DC, Jackson G, 1998, Liquid crystalline phase behavior in systems of hard-sphere chains, Journal of Chemical Physics, Vol: 108, Pages: 10294-10302
Vanakaras AG, McGrother SC, Jackson G, et al., 1998, Hydrogen bonding and phase biaxiality in nematic rod-plate mixtures, Molec.Cryst.Liq.Cryst., Vol: 323, Pages: 199-209
Garcia-Lisbona MN, Galindo A, Jackson G, et al., 1998, An examination of the cloud curves of liquid-liquid immiscibility of aqueous solutions of alkyl polyoxyethylene surfactants using the SAFT-HS approach with transferable parameters, Journal of the American Chemical Society, Vol: 120, Pages: 4191-4199
McGrother SC, Jackson G, Photinos DJ, 1997, The isotropic-nematic transition of dipolar spherocylinders: Combining thermodynamic perturbation with Monte Carlo simulation, Molecular Physics, Vol: 91, Pages: 751-756, ISSN: 0026-8976
We attempt to predict the phase behaviour of elongated molecules possessing longitudinal point dipoles by treating the dipolar interaction as a perturbation on a reference system consisting of hard spherocylinders. Thermal averages of up to the fourth power of the total dipolar interaction are evaluated by Monte Carlo simulation in the NVT ensemble of the nonpolar spherocylinders over a range of densities spanning the isotropic-nematic transition density. From the evaluation of the first two terms in the high-temperature perturbation expansion of the free energy we find that the nematic phase is destabilized relative to the isotropic phase (when compared with the non-polar system) as one switches on a weak central dipolar interaction. In contrast, off-centre dipoles appear to have a stabilizing effect on the nematic phase for weak dipoles, but as the dipole strength increases the nematic is seen to be destabilized with respect to the isotropic phase. © 1997 Taylor & Francis Group, LLC.
Filipe EJM, Pereira LAM, Dias LMB, et al., 1997, Shape effects in molecular liquids: phase equilibria of binary mixtures involving cyclic molecules, Journal of Physical Chemistry B, Vol: 101, Pages: 11243-11248
Gil-Villegas A, Galindo A, Whitehead PJ, et al., 1997, Statistical associating fluid theory for chain molecules with attractive potentials of variable range, Journal of Chemical Physics, Vol: 106, Pages: 4168-4186
McGrother SC, Sear RP, Jackson G, 1997, The liquid-crystalline phase behavior of dimerizing hard spherocylinders, Journal of Chemical Physics, Vol: 106, Pages: 7315-7330
Clements PJ, Zafar S, Galindo A, et al., 1997, Thermodynamics of ternary mixtures exhibiting tunnel phase behaviour. Part 3.- Hexane-hexamethyldisiloxane-perfluorohexane, Journal of the Chemical Society-Faraday Transactions, Vol: 93, Pages: 1331-1339
Gil-Villegas A, McGrother SC, Jackson G, 1997, Chain and ring structures in smectic phases of molecules with transverse dipoles, Chemical Physics Letters, Vol: 269, Pages: 441-447
Gil-Villegas A, McGrother SC, Jackson G, 1997, Reaction-field and Ewald summation methods in Monte Carlo simulations of dipolar liquid crystals, Molecular Physics, Vol: 92, Pages: 723-734
Galindo A, Whitehead PJ, Jackson G, et al., 1997, Predicting the phase equilibria of mixtures of hydrogen fluoride with water, difluoromethane (HFC-32), and 1,1,1,2-tetrafluoroethane (HFC-134a) using a simplified SAFT approach, Journal of Physical Chemistry B, Vol: 101, Pages: 2082-2091
McGrother SC, Jackson G, Photinos DJ, 1997, The isotropic-nematic transition of dipolar spherocylinders: combining thermodynamic perturbation with Monte Carlo simulation, Molecular Physics, Vol: 91, Pages: 751-756
Sear RP, Jackson G, 1996, The ring integral in a thermodynamic perturbation theory for association, MOLECULAR PHYSICS, Vol: 87, Pages: 517-521, ISSN: 0026-8976
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- Citations: 25
Hornsby PR, Wang J, Rothon R, et al., 1996, Thermal decomposition behaviour of polyamide fire-retardant compositions containing magnesium hydroxide filler, Polymer Degradation and Stability, Vol: 51, Pages: 235-249, ISSN: 0141-3910
The thermal analysis of polyamides modified with magnesium hydroxide fire retardant filler is studied. Using combined TGA, DSC EGA and on-line FTIR techniques, it is shown that on thermal breakdown magnesium hydroxide exerts a significant pro-degraditive action on polyamides, attributed to water release and resulting hydrolysis of the polymer chain. Evolved gases released are shown to be water, carbon monoxide, carbon dioxide, ammonia and various hydrocarbon fragments. Similar results are obtained for both filled and unfilled PA compositions. However it is evident that in PA-6,6, polymer degradation occurs before magnesium hydroxide breakdown, whereas there is much greater overlap between thermal decomposition of PA-6 and the fire retardant filler.
Sear RP, Jackson G, 1996, The ring integral in a thermodynamic perturbation theory for association, Molecular Physics, Vol: 87, Pages: 517-521
McGrother SC, Gil-Villegas A, Jackson G, 1996, The liquid-crystalline phase behaviour of hard spherocylinders with terminal point dipoles, Journal of Physics: Condensed Matter, Vol: 8, Pages: 9649-9655
Archer AL, Amos MD, Jackson G, et al., 1996, The theoretical prediction of the critical points of alkanes, perfluoroalkanes, and their mixtures using bonded hard sphere (BHS) theory, International Journal of Thermophysics, Vol: 17, Pages: 201-211
McGrother SC, Jackson G, 1996, Island of vapor-liquid coexistence in dipolar hard-core systems, Physical Review Letters, Vol: 76, Pages: 4183-4186
Sear RP, Jackson G, 1996, Thermodynamic perturbation theory for association with bond cooperativity, Journal of Chemical Physics, Vol: 105, Pages: 1113-1120
McGrother SC, Williamson DC, Jackson G, 1996, A re-examination of the phase diagram of hard spherocylinders, Journal of Chemical Physics, Vol: 104, Pages: 6755-6771
Galindo A, Whitehead PJ, Jackson G, et al., 1996, Predicting the high-pressure phase equilibria of water + n-alkanes using a simplified SAFT theory with transferable intermolecular parameters, Journal of Physical Chemistry B, Vol: 100, Pages: 6781-6792
JACKSON G, 1995, FOREWORD, MOLECULAR PHYSICS, Vol: 86, Pages: 547-547, ISSN: 0026-8976
SCHAEFER HF, HANDY NC, JACKSON G, et al., 1995, HOWARD,BRIAN, MOLECULAR PHYSICS, Vol: 84, Pages: 451-451, ISSN: 0026-8976
Sear RP, Jackson G, 1995, Reentrant nematic phase in a mixture of associating cylindrical molecules, Physical Review Letters, Vol: 74, Pages: 4261-4264
Sear RP, Jackson G, 1995, Smectic-A and smectic-A2 phases in aligned cylinders with a cylindrical attractive square well at one end, Physical Review E, Vol: 52, Pages: 3881-3891
Rull LF, Jackson G, Smit B, 1995, The condition of microscopic reversibility in Gibbs ensemble Monte Carlo simulations of phase equilibria, Molecular Physics, Vol: 85, Pages: 435-447
Williamson DC, Jackson G, 1995, Excluded volume for a pair of linear chains of tangent hard spheres with an arbitrary relative orientation, Molecular Physics, Vol: 86, Pages: 819-836
Sear RP, Jackson G, 1995, The gas, liquid, and solid phases of dimerizing hard spheres and hard-sphere dumbbells, Journal of Chemical Physics, Vol: 102, Pages: 939-946
Sear RP, Jackson G, 1995, Theory of phase equilibria in associating systems: Chain and ring aggregates, amphiphiles, and liquid crystals, NATO Advanced Study Institute on Observation, Prediction and Simulation of Phase Transitions in Complex Fluids, Publisher: KLUWER ACADEMIC PUBL, Pages: 625-640, ISSN: 0258-2023
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- Citations: 1
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