Publications
331 results found
Cuetos A, Galindo A, Jackson G, 2008, Thermotropic Biaxial Liquid Crystalline Phases in a Mixture of Attractive Uniaxial Rod and Disk Particles, PHYSICAL REVIEW LETTERS, Vol: 101, ISSN: 0031-9007
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- Citations: 51
Lafitte T, Galindo A, Adjiman CS, et al., 2008, Accurate perturbation theory for chains of soft-core attractive segments of arbitrary softness, AIChE Annual Meeting, Conference Proceedings
Ahlström P, Aim K, Dohrn R, et al., 2008, A survey of thermodynamics and transport properties in chemical engineering education in Europe and the USA, AIChE Annual Meeting, Conference Proceedings
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- Citations: 1
Dowell NM, Adjiman CS, Galindo A, et al., 2008, Modeling CO2 capture in amine solvents with an advanced association model: Process optimisation and a platform for solvent design, AIChE Annual Meeting, Conference Proceedings
Giner B, Sheldon T, Pollock M, et al., 2008, An approach for developing intermolecular models for use within Saft-Vr from quantum mechanical calculations and experimental data, AIChE Annual Meeting, Conference Proceedings
Haslam AJ, Galindo A, Jackson G, 2008, Predicting binary interaction parameters for use in modelling fluid mixtures, AIChE Annual Meeting, Conference Proceedings
Clark GNI, Galindo A, Jackson G, 2008, Study of the closed-loop immiscibility of polyethylene glycol aqueous solutions with the statisitcal associating fluid theory, AIChE Annual Meeting, Conference Proceedings
Llovell F, Galindo A, Jackson G, et al., 2008, Modeling interfacial properties of real fluids involved in enhanced oil recovery through the use of a density functional theory based on the saft-Vr Eos, AIChE Annual Meeting, Conference Proceedings
Schreckenberg JMA, Adjiman CS, Galindo A, et al., 2008, Modelling the fluid phase behaviour in aqueous surfactant and water + oil + surfactant solutions and the effects of added salts, AIChE Annual Meeting, Conference Proceedings
Surfactants are widely used due to their amphiphilic properties and their solubility in water and many organic solvents. The phase behaviour of surfactant mixtures is therefore of great interest, both from the scientific and industrial perspective. Transferable molecular models of the alykylpolyoxyethylene (C 1E j) non-ionic surfactants are developed within the Wertheim TPT1 formalism for use with the statistical association fluid theory for potentials of variable range (SAFT-VR). Short-range attractive interaction sites allow the explicit treatment of water and surfactant hydrogen bonding. The fluid phase equilibria of binary aqueous surfactant solutions are examined with a particular emphasis on the regions of liquid immiscibility known as closed-loop regions. Additional association sites for the surfactant are used to better describe the experimental closed-loop; the physical significance of these extra sites can be explained in terms of the micellar aggregation of the surfactants where only the hydrophilic head groups are exposed to water so that the solubility of the surfactant is effectively one of a fully hydrophilic chain with sites all along its length. The fluid phase equilibria of ternary water + hydrocarbon (oil) + C iE j solutions are examined to represent the liquid two and three phase regions. Transferable molecular interaction parameters are determined which give an excellent description of the phase behaviour of these systems. The interaction parameters provide a predictive platform for surfactant mixtures of various molecular weights and permit to examine global behaviour. The pressure dependence of the liquid phase behaviour in these systems is also studied. The closed-loop is observed to diminish with increasing pressures. At low pressures and with increasing temperature the three phase region in water + oil + C iE
Pereira FE, Keskes E, Adjiman CS, et al., 2008, A physical absorption process for the capture of CO2 from CO2-rich natural gas streams using hydrocarbon solvents, with post-capture CO2 re-compression, AIChE 100 - 2008 AIChE Annual Meeting, Conference Proceedings
The increasing importance of natural gas as a source of energy poses difficult gas separation design challenges, as the high flow-rate streams recovered from gas fields are at high pressures (typically about 10MPa) and can contain a high proportion of CO2 (up to 70%). Conventional separation techniques are usually restricted to low CO2 content or low pressure feeds, and consequently there is a pressing need for an alternative process that is appropriate for such a scenario. In addition, increasingly stringent regulation of CO2 emissions has rendered release of CO2 to the atmosphere more difficult. There is growing pressure for the captured CO2 to be re-compressed before it may be re-injected and re-used on site, or transported for further use elsewhere. This step is energy intensive, and could potentially change the economic outlook of the separation process, and consequently the entire natural gas production operation. A process for the separation of gaseous CO2/CH4 has been developed, capable of economically treating natural gas feeds at the high pressures and CO2 concentrations mentioned. The process has been modelled for a system comprising methane, CO2 and alkane solvent. The separation process model includes absorption and desorption units, as well as heat exchangers and a CO2 re-compression stage. An advanced equation of state, SAFT-VR, has been employed in this study. This facilitates accurate representation of the complex thermodynamic and fluid-phase equilibrium behaviour of high pressure/temperature CO2-hydrocarbon mixtures. The work has been carried out using the modelling-optimisation software gPROMS. The process is optimised by considering an economic objective over a 15-year lifetime. In addition to finding the best equipment sizes and operating conditions, the alkane chain length of the physical solvent is also treated as an optimisation variable, to achieve the most cost effective absorption for differing CO2 content. Several case studies are examin
Lymperiadis A, Adjiman CS, Galindo A, et al., 2008, Molecular based group contribution approaches for the prediction of the thermophysical properties of fluids, AIChE Annual Meeting, Conference Proceedings
Malijevsky A, Jackson G, Varga S, 2008, Many-fluid Onsager density functional theories for orientational ordering in mixtures of anisotropic hard-body fluids, JOURNAL OF CHEMICAL PHYSICS, Vol: 129, ISSN: 0021-9606
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- Citations: 21
Blas FJ, MacDowell LG, de Miguel E, et al., 2008, Vapor-liquid interfacial properties of fully flexible Lennard-Jones chains, JOURNAL OF CHEMICAL PHYSICS, Vol: 129, ISSN: 0021-9606
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- Citations: 76
Clark GNI, Galindo A, Jackson G, et al., 2008, Modeling and understanding closed-loop liquid - Liquid immiscibility in aqueous solutions of poly(ethylene glycol) using the SAFT-VR approach with transferable parameters, MACROMOLECULES, Vol: 41, Pages: 6582-6595, ISSN: 0024-9297
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- Citations: 46
de Wijn AS, Vesovic V, Jackson G, et al., 2008, A kinetic theory description of the viscosity of dense fluids consisting of chain molecules, JOURNAL OF CHEMICAL PHYSICS, Vol: 128, ISSN: 0021-9606
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- Citations: 37
Haslam AJ, Galindo A, Jackson G, 2008, Prediction of binary intermolecular potential parameters for use in modelling fluid mixtures, FLUID PHASE EQUILIBRIA, Vol: 266, Pages: 105-128, ISSN: 0378-3812
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- Citations: 117
Deschamps J, Trusler JPM, Jackson G, 2008, Vapor pressure and density of thermotropic liquid crystals: MBBA, 5CB, and novel fluorinated mesogens, JOURNAL OF PHYSICAL CHEMISTRY B, Vol: 112, Pages: 3918-3926, ISSN: 1520-6106
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- Citations: 38
Franco-Melgar M, Haslam AJ, Jackson G, 2008, A generalisation of the Onsager trial-function approach: describing nematic liquid crystals with an algebraic equation of state, MOLECULAR PHYSICS, Vol: 106, Pages: 649-678, ISSN: 0026-8976
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- Citations: 51
Lymperiadis A, Adjiman CS, Galindo A, et al., 2008, A heteronuclear group contribution method for associating chain molecules (SAFT-γ), 18TH EUROPEAN SYMPOSIUM ON COMPUTER AIDED PROCESS ENGINEERING, Vol: 25, Pages: 871-876, ISSN: 1570-7946
Lymperiadis A, Adjiman CS, Galindo A, et al., 2007, A group contribution method for associating chain molecules based on the statistical associating fluid theory (SAFT-γ), JOURNAL OF CHEMICAL PHYSICS, Vol: 127, ISSN: 0021-9606
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- Citations: 203
Gloor GJ, Jackson G, Blas FJ, et al., 2007, Prediction of the vapor-liquid interfacial tension of nonassociating and associating fluids with the SAFT-VR density functional theory, JOURNAL OF PHYSICAL CHEMISTRY C, Vol: 111, Pages: 15513-15522, ISSN: 1932-7447
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- Citations: 85
Paricaud P, Galindo A, Jackson G, 2007, Examining the effect of chain length polydispersity on the phase behavior of polymer solutions with the statistical associating fluid theory (Wertheim TPT1) using discrete and continuous distributions, JOURNAL OF CHEMICAL PHYSICS, Vol: 127, ISSN: 0021-9606
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- Citations: 12
de Miguel E, Almarza NG, Jackson G, 2007, Surface tension of the Widom-Rowlinson model, JOURNAL OF CHEMICAL PHYSICS, Vol: 127, ISSN: 0021-9606
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- Citations: 16
Keskes E, Adjiman CS, Galindo A, et al., 2006, A new physical absorption process for the capture of Co2 from Co2-rich natural gas streams, AIChE Annual Meeting, Conference Proceedings
The increasing importance of natural gas as a source of energy poses difficult gas separation design challenges, as the streams recovered from gas fields are at high pressures and can contain a high proportion of CO2. A new CO2/CH4 gas separation process is presented. Capture of CO2 from natural gas is carried out using an n-alkane solvent in a conventional physical absorption process. A methodology to find optimal process condition and solvent is developed using an advanced EOS, process modeling-optimization software, and detailed process cost estimation. Natural gas feeds containing ≤ 70% mole/mole of CO2 could be treated economically using this process. This is an abstract of a paper presented at the 2006 AIChE Annual Meeting (San Francisco, CA 11/12-17/2006).
Jackson G, Nezbeda I, 2006, 7th Liblice Conference on the Statistical Mechanics of Liquids - Lednice, Czech Republic - June 11-16 2006, MOLECULAR PHYSICS, Vol: 104, Pages: 3387-3387, ISSN: 0026-8976
De Miguel E, Jackson G, 2006, Detailed examination of the calculation of the pressure in simulations of systems with discontinuous interactions from the mechanical and thermodynamic perspectives, MOLECULAR PHYSICS, Vol: 104, Pages: 3717-3734, ISSN: 0026-8976
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- Citations: 49
Clark GNI, Haslam AJ, Galindo A, et al., 2006, Developing optimal Wertheim-like models of water for use in Statistical Associating Fluid Theory (SAFT) and related approaches, MOLECULAR PHYSICS, Vol: 104, Pages: 3561-3581, ISSN: 0026-8976
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- Citations: 153
Varga S, Jackson G, 2006, Study of the pitch of fluids of electrostatically chiral anisotropic molecules: mean-field theory and simulation, MOLECULAR PHYSICS, Vol: 104, Pages: 3681-3691, ISSN: 0026-8976
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- Citations: 29
de Miguel E, Jackson G, 2006, The nature of the calculation of the pressure in molecular simulations of continuous models from volume perturbations, JOURNAL OF CHEMICAL PHYSICS, Vol: 125, ISSN: 0021-9606
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- Citations: 91
Haslam AJ, von Solms N, Adjiman CS, et al., 2006, Predicting enhanced absorption of light gases in polyethylene using simplified PC-SAFT and SAFT-VR, FLUID PHASE EQUILIBRIA, Vol: 243, Pages: 74-91, ISSN: 0378-3812
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- Citations: 32
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