George Jackson
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British chemical physicist
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George Jackson chemistry Degrees
Chemistry
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Physical Chemistry
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Chemistry
George Jackson 's Degrees
- Masters Chemistry University of Oxford
- Bachelors Chemistry University of Oxford
Why Is George Jackson Influential?
(Suggest an Edit or Addition)According to Wikipedia, George Jackson, , , is a British professor of chemical physics in the Department of Chemical Engineering at Imperial College London. He is noted for developing molecular models that describe the thermodynamic properties of complex fluids; as one of the developers of statistical associating fluid theory ; and for his work in molecular systems engineering. His theoretical work has found a wide range of practical applications in industries such as gas extraction and emerging fields like carbon capture and storage.
George Jackson 's Published Works
Number of citations in a given year to any of this author's works
Total number of citations to an author for the works they published in a given year. This highlights publication of the most important work(s) by the author
Published Works
- New reference equation of state for associating liquids (1990) (1627)
- Carbon capture and storage (CCS): the way forward (2018) (1582)
- An overview of CO2 capture technologies (2010) (1308)
- SAFT: Equation-of-state solution model for associating fluids (1989) (1168)
- Statistical associating fluid theory for chain molecules with attractive potentials of variable range (1997) (880)
- Phase equilibria of associating fluids (2006) (693)
- Phase equilibria of associating fluids : spherical molecules with multiple bonding sites (1988) (570)
- Accurate statistical associating fluid theory for chain molecules formed from Mie segments. (2013) (341)
- A RE-EXAMINATION OF THE PHASE DIAGRAM OF HARD SPHEROCYLINDERS (1996) (299)
- Test-area simulation method for the direct determination of the interfacial tension of systems with continuous or discontinuous potentials. (2005) (271)
- Phase equilibria and critical behavior of square‐well fluids of variable width by Gibbs ensemble Monte Carlo simulation (1992) (269)
- THE THERMODYNAMICS OF MIXTURES AND THE CORRESPONDING MIXING RULES IN THE SAFT-VR APPROACH FOR POTENTIALS OF VARIABLE RANGE (1998) (252)
- Group contribution methodology based on the statistical associating fluid theory for heteronuclear molecules formed from Mie segments. (2014) (227)
- A group contribution method for associating chain molecules based on the statistical associating fluid theory (SAFT-gamma). (2007) (217)
- SAFT-VRE: Phase Behavior of Electrolyte Solutions with the Statistical Associating Fluid Theory for Potentials of Variable Range (1999) (183)
- SAFT-γ force field for the simulation of molecular fluids. 1. A single-site coarse grained model of carbon dioxide. (2011) (177)
- Developing optimal Wertheim-like models of water for use in Statistical Associating Fluid Theory (SAFT) and related approaches (2006) (152)
- An overview of CO 2 capture technologies (2010) (138)
- Force-field parameters from the SAFT-γ equation of state for use in coarse-grained molecular simulations. (2014) (132)
- SAFT-VR modelling of the phase equilibrium of long-chain n-alkanes (1999) (132)
- Modeling the Fluid Phase Behavior of Carbon Dioxide in Aqueous Solutions of Monoethanolamine Using Transferable Parameters with the SAFT-VR Approach (2010) (130)
- A generalisation of the SAFT-γ group contribution method for groups comprising multiple spherical segments (2008) (127)
- Prediction of binary intermolecular potential parameters for use in modelling fluid mixtures (2008) (123)
- SAFT-γ force field for the simulation of molecular fluids: 2. Coarse-grained models of greenhouse gases, refrigerants, and long alkanes. (2013) (120)
- Simulation of Asphaltene Aggregation through Molecular Dynamics: Insights and Limitations (2017) (119)
- A hierarchical method to integrated solvent and process design of physical CO2 absorption using the SAFT‐γ Mie approach (2015) (113)
- Interfacial tension measurements and modelling of (carbon dioxide + n-alkane) and (carbon dioxide + water) binary mixtures at elevated pressures and temperatures (2010) (113)
- A perspective on the interfacial properties of nanoscopic liquid drops (2012) (111)
- Prediction of Thermodynamic Properties and Phase Behavior of Fluids and Mixtures with the SAFT-γ Mie Group-Contribution Equation of State (2014) (105)
- An accurate density functional theory for the vapor-liquid interface of associating chain molecules based on the statistical associating fluid theory for potentials of variable range. (2004) (101)
- Vapour—liquid equilibrium of the square-well fluid of variable range via a hybrid simulation approach (2002) (98)
- The A in SAFT: developing the contribution of association to the Helmholtz free energy within a Wertheim TPT1 treatment of generic Mie fluids (2015) (97)
- Predicting the High-Pressure Phase Equilibria of Binary Mixtures of Perfluoro-n-alkanes + n-Alkanes Using the SAFT-VR Approach (1998) (97)
- Recent advances in the use of the SAFT approach in describing electrolytes, interfaces, liquid crystals and polymers (2001) (96)
- The nature of the calculation of the pressure in molecular simulations of continuous models from volume perturbations. (2006) (95)
- Integrated solvent and process design using a SAFT-VR thermodynamic description: High-pressure separation of carbon dioxide and methane (2011) (87)
- SAFT-γ force field for the simulation of molecular fluids: 3. Coarse-grained models of benzene and hetero-group models of n-decylbenzene (2012) (86)
- Modeling the Cloud Curves and the Solubility of Gases in Amorphous and Semicrystalline Polyethylene with the SAFT-VR Approach and Flory Theory of Crystallization (2004) (83)
- Modelling the fluid phase behaviour of aqueous mixtures of multifunctional alkanolamines and carbon dioxide using transferable parameters with the SAFT-VR approach (2012) (82)
- Prediction of the Vapor−Liquid Interfacial Tension of Nonassociating and Associating Fluids with the SAFT-VR Density Functional Theory† (2007) (79)
- Transferable SAFT-VR models for the calculation of the fluid phase equilibria in reactive mixtures of carbon dioxide, water, and n-alkylamines in the context of carbon capture. (2011) (77)
- Pseudo hard-sphere potential for use in continuous molecular-dynamics simulation of spherical and chain molecules. (2012) (76)
- A SAFT-DFT approach for the vapour-liquid interface of associating fluids (2002) (76)
- Classical density functional theory for the prediction of the surface tension and interfacial properties of fluids mixtures of chain molecules based on the statistical associating fluid theory for potentials of variable range. (2010) (74)
- Liquid crystalline phase behavior in systems of hard-sphere chains (1998) (73)
- An examination of the vapour-liquid interface of associating fluids using a SAFT-DFT approach (2001) (73)
- Describing the Properties of Chains of Segments Interacting Via Soft-Core Potentials of Variable Range with the SAFT-VR Approach (1998) (73)
- Bonded hard‐sphere (BHS) theory for the equation of state of fused hard‐sphere polyatomic molecules and their mixtures (1992) (72)
- Communications: Evidence for the role of fluctuations in the thermodynamics of nanoscale drops and the implications in computations of the surface tension. (2010) (72)
- SAFT-γ force field for the simulation of molecular fluids: 4. A single-site coarse-grained model of water applicable over a wide temperature range (2015) (70)
- BHS theory and computer simulations of linear heteronuclear triatomic hard-sphere molecules (1991) (70)
- A statistical associating fluid theory for electrolyte solutions (SAFT-VRE) (2001) (68)
- SAFT- γ force field for the simulation of molecular fluids 6: Binary and ternary mixtures comprising water, carbon dioxide, and n -alkanes (2016) (67)
- Mixtures of associating spherical and chain molecules (1989) (67)
- Efficient Screening and Selection of Post-combustion CO2 Capture Solvents (2014) (67)
- Predicting the High-Pressure Phase Equilibria of Methane + n-Hexane Using the SAFT-VR Approach (1998) (66)
- Computer simulation of mixtures of hard spheres (1987) (66)
- Chain and ring structures in smectic phases of molecules with transverse dipoles (1997) (65)
- Theory of closed-loop liquid-liquid immiscibility in mixtures of molecules with directional attractive forces (1991) (65)
- Vapor-liquid interfacial properties of fully flexible Lennard-Jones chains. (2008) (65)
- Application of the SAFT-γ Mie group contribution equation of state to fluids of relevance to the oil and gas industry (2016) (65)
- An analytical equation of state for chain molecules formed from Yukawa segments (1999) (64)
- Modelling of the thermodynamic and solvation properties of electrolyte solutions with the statistical associating fluid theory for potentials of variable range (2014) (64)
- An Examination of the Cloud Curves of Liquid−Liquid Immiscibility in Aqueous Solutions of Alkyl Polyoxyethylene Surfactants Using the SAFT-HS Approach with Transferable Parameters (1998) (64)
- The thermodynamics of heteronuclear molecules formed from bonded square-well (BSW) segments using the SAFT-VR approach (1999) (64)
- Theory and computer simulations of heteronuclear diatomic hard-sphere molecules (hard dumbbells) (1991) (64)
- Nematic phase transitions in mixtures of thin and thick colloidal rods. (2004) (62)
- Simultaneous prediction of vapour-liquid and liquid-liquid equilibria (VLE and LLE) of aqueous mixtures with the SAFT-γ group contribution approach (2011) (62)
- Developing intermolecular‐potential models for use with the SAFT‐VR Mie equation of state (2015) (61)
- Examining the Adsorption (Vapor-Liquid Equilibria) of Short-Chain Hydrocarbons in Low-Density Polyethylene with the SAFT-VR Approach (2001) (59)
- Study of the demixing transition in model athermal mixtures of colloids and flexible self-excluding polymers using the thermodynamic perturbation theory of Wertheim (2003) (59)
- Reaction-field and Ewald summation methods in Monte Carlo simulations of dipolar liquid crystals (1997) (58)
- 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 (1997) (57)
- The liquid-crystalline phase behaviour of hard spherocylinders with terminal point dipoles (1996) (57)
- The theoretical prediction of the cricital points of alkanes, perfluoroalkanes, and their mixtures using bonded hard-sphere (BHS) theory (1996) (56)
- On the molecular origin of high-pressure effects in nanoconfinement: the role of surface chemistry and roughness. (2013) (56)
- Application of the SAFT-VR density functional theory to the prediction of the interfacial properties of mixtures of relevance to reservoir engineering (2012) (55)
- PREDICTION OF PHASE EQUILIBRIA FOR REFRIGERANT MIXTURES OF DIFLUOROMETHANE(HFC-32), 1,1,1,2-TETRAFLUOROETHANE (HFC-134A), AND PENTAFLUOROETHANE (HFC- 125A) USING SAFT-VR (1998) (55)
- The effect of dipolar interactions on the liquid crystalline phase transitions of hard spherocylinders with central longitudinal dipoles (1998) (55)
- Vapor–liquid and liquid–liquid phase equilibria of mixtures containing square‐well molecules by Gibbs ensemble Monte Carlo simulation (1994) (53)
- Surface thermodynamics of planar, cylindrical, and spherical vapour-liquid interfaces of water. (2015) (51)
- The phase behavior of a binary mixture of rodlike and disclike mesogens: Monte Carlo simulation, theory, and experiment (2003) (50)
- Computer-aided molecular design and selection of CO2 capture solvents based on thermodynamics, reactivity and sustainability (2016) (48)
- THERMODYNAMIC PERTURBATION THEORY FOR ASSOCIATION WITH BOND COOPERATIVITY (1996) (48)
- Thermodynamics of Liquid Mixtures of Xenon with Alkanes: (Xenon + Ethane) and (Xenon + Propane) (2000) (47)
- Predicting the High-Pressure Phase Equilibria of Binary Mixtures of n-Alkanes Using the SAFT-VR Approach (1998) (45)
- Understanding liquid-liquid immiscibility and LCST behaviour in polymer solutions with a Wertheim TPT1 description (2003) (45)
- Thermotropic biaxial liquid crystalline phases in a mixture of attractive uniaxial rod and disk particles. (2008) (45)
- Vapor pressure and density of thermotropic liquid crystals: MBBA, 5CB, and novel fluorinated mesogens. (2008) (44)
- Excluded volume for a pair of linear chains of tangent hard spheres with an arbitrary relative orientation (1995) (44)
- Adsorption and separation of CO2/CH4 mixtures using nanoporous adsorbents by molecular simulation (2014) (44)
- Detailed examination of the calculation of the pressure in simulations of systems with discontinuous interactions from the mechanical and thermodynamic perspectives (2006) (43)
- Modeling and Understanding Closed-Loop Liquid−Liquid Immiscibility in Aqueous Solutions of Poly(ethylene glycol) Using the SAFT-VR Approach with Transferable Parameters (2008) (43)
- Interfacial tensions of systems comprising water, carbon dioxide and diluent gases at high pressures: Experimental measurements and modelling with SAFT-VR Mie and square-gradient theory (2016) (43)
- Outer approximation algorithm with physical domain reduction for computer-aided molecular and separation process design (2016) (42)
- Improved models for the phase behaviour of hydrogen fluoride: chain and ring aggregates in the SAFT approach and the AEOS model (2002) (42)
- Nematic-nematic phase separation in binary mixtures of thick and thin hard rods: results from Onsager-like theories. (2005) (42)
- Predicting the high-pressure phase equilibria of binary aqueous solutions of 1-butanol, n-butoxyethanol and n-decylpentaoxyethylene ether (C10E5) using the SAFT-HS approach (1998) (42)
- Thermodynamics of Liquid Mixtures of Xenon with Alkanes: (Xenon + n-Butane) and (Xenon + Isobutane) (2000) (39)
- Simulation study of the phase behavior of a primitive model for thermotropic liquid crystals: Rodlike molecules with terminal dipoles and flexible tails (2000) (39)
- Generalized van der Waals theory for the twist elastic modulus and helical pitch of cholesterics. (2009) (39)
- New types of phase behaviour in binary mixtures of hard rod-like particles (2003) (38)
- Cholesteric order in systems of helical Yukawa rods (2010) (38)
- Hydrogen-bonding and Phase Biaxiality in Nematic Rod-Plate Mixtures (1998) (38)
- Ordering transitions, biaxiality, and demixing in the symmetric binary mixture of rod and plate molecules described with the Onsager theory. (2002) (37)
- Excess equimolar radius of liquid drops. (2011) (37)
- Theory of phase equilibria for model aqueous solutions of chain molecules: water + alkane mixtures (1992) (37)
- Theory of phase equilibria and closed‐loop liquid–liquid immiscibility for model aqueous solutions of associating chain molecules: Water +alkanol mixtures (1992) (37)
- Phase equilibria in model mixtures of spherical molecules of different sizes (1986) (36)
- Molecules Matter: The Expanding Envelope of Process Design (2014) (36)
- A kinetic theory description of the viscosity of dense fluids consisting of chain molecules. (2008) (36)
- Development of intermolecular potential models for electrolyte solutions using an electrolyte SAFT-VR Mie equation of state (2016) (36)
- SAFT-γ force field for the simulation of molecular fluids: 8. Hetero-segmented coarse-grained models of perfluoroalkylalkanes assessed with new vapour–liquid interfacial tension data (2016) (36)
- Predicting the Solvation of Organic Compounds in Aqueous Environments: From Alkanes and Alcohols to Pharmaceuticals (2017) (35)
- Theory for the phase behavior of a mixture of a rodlike colloid and a rodlike polymer (1995) (35)
- SAFT-γ Force Field for the Simulation of Molecular Fluids. 5. Hetero-Group Coarse-Grained Models of Linear Alkanes and the Importance of Intramolecular Interactions. (2018) (35)
- Theory and computer simulation of hard-sphere site models of ring molecules (1994) (33)
- Understanding the fluid phase behaviour of crude oil: Asphaltene precipitation (2011) (33)
- Predicting enhanced absorption of light gases in polyethylene using simplified PC-SAFT and SAFT-VR (2006) (33)
- Global fluid phase behavior in binary mixtures of rodlike and platelike molecules (2002) (32)
- Advances in generalised van der Waals approaches for the isotropic–nematic fluid phase equilibria of thermotropic liquid crystals–an algebraic equation of state for attractive anisotropic particles with the Onsager trial function (2009) (32)
- Phase equilibria of associating fluids of spherical and chain molecules (1988) (32)
- A duality-based optimisation approach for the reliable solution of (P, T) phase equilibrium in volume-composition space (2010) (32)
- Group Contribution Coarse-Grained Molecular Simulations of Polystyrene Melts and Polystyrene Solutions in Alkanes Using the SAFT-γ Force Field (2017) (32)
- Modelling the phase and chemical equilibria of aqueous solutions of alkanolamines and carbon dioxide using the SAFT-γ SW group contribution approach (2016) (30)
- The HELD algorithm for multicomponent, multiphase equilibrium calculations with generic equations of state (2012) (30)
- Effective coarse-grained solid-fluid potentials and their application to model adsorption of fluids on heterogeneous surfaces. (2014) (29)
- Viscosity of liquid mixtures: the Vesovic-Wakeham method for chain molecules. (2012) (29)
- Subtleties in the calculation of the pressure and pressure tensor of anisotropic particles from volume-perturbation methods and the apparent asymmetry of the compressive and expansive contributions (2011) (28)
- The development of unlike induced association-site models to study the phase behaviour of aqueous mixtures comprising acetone, alkanes and alkyl carboxylic acids with the SAFT-g Mie group contribution methodology (2016) (28)
- Thermodynamic perturbation theory for association into doubly bonded dimers (1994) (28)
- Study of the pitch of fluids of electrostatically chiral anisotropic molecules: mean-field theory and simulation (2006) (27)
- Bonded hard-sphere theory and computer simulations of polyatomic hard-sphere models of alkanes and their derivatives (1993) (27)
- Phase behavior of symmetric rod-plate mixtures revisited: Biaxiality versus demixing (2002) (27)
- Modelling the effect of methanol, glycol inhibitors and electrolytes on the equilibrium stability of hydrates with the SAFT-VR approach (2012) (27)
- Simulation of the macroscopic pitch of a chiral nematic phase of a model chiral mesogen (2003) (25)
- Assembly of porous smectic structures formed from interlocking high-symmetry planar nanorings (2016) (25)
- Gibbs ensemble computer simulation and SAFT-VR theory of non-conformal square-well monomer–dimer mixtures (1999) (24)
- Integrated solvent and process design for the reactive separation of CO2 from flue gas (2010) (24)
- A study of orientational ordering in a fluid of dipolar Gay-Berne molecules using density-functional theory (2002) (23)
- An approach for simultaneous computer-aided molecular design with holistic sustainability assessment: Application to phase-change CO2 capture solvents (2020) (23)
- Aspects of Asphaltene Aggregation Obtained from Coarse-Grained Molecular Modeling (2015) (23)
- Monte Carlo annealing technique for the minimization of the Onsager free energy functional (1994) (22)
- The ring integral in a thermodynamic perturbation theory for association (1996) (22)
- Effect of polymer chain-length polydispersity on the phase behavior of model athermal mixtures of colloids and flexible self-excluding polymers (2004) (22)
- The condition of microscopic reversibility in Gibbs ensemble Monte Carlo simulations of phase equilibria (1995) (22)
- Theory for hydrogen-bonding nematic liquid crystals (1994) (21)
- Simulation study of the link between molecular association and reentrant miscibility for a mixture of molecules with directional interactions (1999) (21)
- The liquid crystalline phase behavior of dimerizing hard spherocylinders (1997) (21)
- External field induced paranematic-nematic phase transitions in rod-like systems (1998) (20)
- Orientational ordering and phase behaviour of binary mixtures of hard spheres and hard spherocylinders. (2015) (20)
- Aggregation Behavior of Model Asphaltenes Revealed from Large-Scale Coarse-Grained Molecular Simulations. (2019) (20)
- Chapter 11 - Toward Sustainable Solvent-Based Postcombustion CO2 Capture: From Molecules to Conceptual Flowsheet Design (2015) (20)
- Group Contribution Methodologies for the Prediction of Thermodynamic Properties and Phase Behavior in Mixtures (2011) (19)
- Is xenon an “ennobled” alkane?Presented at the Bunsen Discussion on Global Phase Diagrams, Walberberg, Germany, 19–22 August, 2001. (2002) (19)
- Integrated Design of CO2 Capture Processes from Natural Gas (2011) (19)
- Structure and Interfacial Tension of a Hard-Rod Fluid in Planar Confinement. (2017) (19)
- The gas, liquid, and solid phases of dimerizing hard spheres and hard‐sphere dumbbells (1995) (19)
- Computer simulation of dipolar liquid crystals (1998) (19)
- Many-fluid Onsager density functional theories for orientational ordering in mixtures of anisotropic hard-body fluids. (2008) (19)
- Liquid crystal phase transitions in systems of colloidal platelets with bimodal shape distribution. (2009) (19)
- Water droplet excess free energy determined by cluster mitosis using guided molecular dynamics. (2015) (19)
- On the liquid mixtures of xenon, alkanes and perfluorinated compounds (2001) (19)
- Computer simulation of the interface between two liquid crystalline phases in rod–plate binary mixtures (2000) (18)
- Nonequilibrium study of the intrinsic free-energy profile across a liquid-vapour interface. (2016) (18)
- Surface tension of the Widom-Rowlinson model. (2007) (18)
- A generalisation of the Onsager trial-function approach: describing nematic liquid crystals with an algebraic equation of state (2008) (18)
- Expanding the Applications of the SAFT-γ Mie Group-Contribution Equation of State: Prediction of Thermodynamic Properties and Phase Behavior of Mixtures (2020) (18)
- Global phase behavior of model mixtures of water and n-alkanols (1999) (17)
- Molecular Engineering of Sustainable Phase-change Solvents: From Digital Design to Scaling-up for CO2 Capture (2020) (16)
- Perturbation theory of a model hcp solid (1988) (15)
- Closed-loop phase equilibria of a symmetrical associating mixture of square-well molecules examined by Gibbs ensemble Monte Carlo simulation (2000) (15)
- Stability of the nematic phase of a mixture of aligned cylinders with respect to the smectic and columnar phases (1995) (14)
- Phase equilibria of a square-well monomer-dimer mixture: Gibbs ensemble computer simulation and statistical associating fluid theory for potentials of variable range (1998) (14)
- Understanding and Describing the Liquid-Crystalline States of Polypeptide Solutions: A Coarse-Grained Model of PBLG in DMF (2014) (14)
- A generic equation of state for liquid crystalline phases of hard-oblate particles (2012) (14)
- On the impact of using volume as an independent variable for the solution of P-T fluid-phase equilibrium with equations of state (2014) (14)
- Perturbation Theory versus Thermodynamic Integration. Beyond a Mean-Field Treatment of Pair Correlations in a Nematic Model Liquid Crystal. (2017) (13)
- Liquid-vapour equilibrium of {xBF3 + (1 − x)n-butane} at 195.49 K (2003) (13)
- Fluid–fluid coexistence in an athermal colloid–polymer mixture: thermodynamic perturbation theory and continuum molecular-dynamics simulation (2015) (12)
- Monte Carlo Simulations of the Liquid−Vapor Interface of Lennard−Jones Diatomics for the Direct Determination of the Interfacial Tension Using the Test-Area Method† (2010) (12)
- Beyond a heuristic analysis: integration of process and working-fluid design for organic Rankine cycles (2020) (12)
- A comparative study of multi-objective optimization methodologies for molecular and process design (2020) (12)
- Modelling the Fluid Phase Behaviour of Multifunctional Alkanolamines and Carbon Dioxide Using the Saft-? Approach (2013) (12)
- Demixing, surface nematization, and competing adsorption in binary mixtures of hard rods and hard spheres under confinement. (2018) (11)
- On the use of molecular-based thermodynamic models to assess the performance of solvents for CO2 capture processes: monoethanolamine solutions. (2016) (11)
- Predicting the adsorption of n-perfluorohexane in BAM-P109 standard activated carbon by molecular simulation using SAFT-γ Mie coarse-grained force fields (2016) (11)
- Fluid phase stability and equilibrium calculations in binary mixtures: Part I: Theoretical development for non-azeotropic mixtures (2009) (11)
- Modelling and understanding of the vapour–liquid and liquid–liquid interfacial properties for the binary mixture of n-heptane and perfluoro-n-hexane (2013) (11)
- Fluid phase stability and equilibrium calculations in binary mixtures: Part II: Application to single-point calculations and the construction of phase diagrams (2009) (10)
- Thermodynamics of ternary mixtures exhibiting tunnel phase behaviour (1997) (10)
- 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. (2007) (10)
- An investigation of the shape and crossover scaling of flexible tangent hard-sphere polymer chains by Monte Carlo simulation (1999) (9)
- Modeling of Fouling from Molecular to Plant Scale (2015) (9)
- Chapter 7 - The derivation of size parameters for the SAFT–VR equation of state from quantum mechanical calculations (2006) (9)
- Description of the thermodynamic properties and fluid‐phase behavior of aqueous solutions of linear, branched, and cyclic amines (2021) (8)
- Predictive models for the phase behaviour and solution properties of weak electrolytes: nitric, sulphuric, and carbonic acids. (2020) (8)
- Liquid Crystal Phase Behaviour of Attractive Disc-Like Particles (2013) (8)
- A study of steric chirality: the chiral nematic phase of a system of chiral two-site HGO molecules (2011) (8)
- Nanorings in planar confinement: the role of repulsive surfaces on the formation of lacuna smectics (2018) (8)
- Validation of an absorber model of carbon dioxide capture in an aqueous amine solvent developed based on the SAFT-VR framework (2012) (7)
- Recent Advances in the Use of the SAFT Approach in Describing Electrolytes, Interfaces, Liquid Crystals and Polymers. (2002) (7)
- Modelling and prediction of the thermophysical properties of aqueous mixtures of choline geranate and geranic acid (CAGE) using SAFT-γ Mie (2019) (7)
- THE ISOTROPIC-NEMATIC TRANSITION OF DIPOLAR SPHEROCYLINDERS : COMBINING THERMODYNAMIC PERTURBATION WITH MONTE CARLO SIMULATION (1997) (7)
- A PHYSICAL ABSORPTION PROCESS FOR THE CAPTURE OF CO 2 FROM CO 2-RICH NATURAL GAS STREAMS (2006) (7)
- Intramolecular bonding in a statistical associating fluid theory of ring aggregates (2019) (6)
- Integrating advanced thermodynamics and process and solvent design for gas separation (2006) (6)
- Predicting the Fluid-Phase Behavior of Aqueous Solutions of ELP (VPGVG) Sequences Using SAFT-VR. (2017) (6)
- Modelling adsorption using an augmented two-dimensional statistical associating fluid theory: 2D-SAFT-VR Mie (2019) (6)
- An investigation of free-energy-averaged (coarse-grained) potentials for fluid adsorption on heterogeneous solid surfaces. (2019) (6)
- Computer-aided Design of Solvent Blends for the Cooling and Anti-solvent Crystallisation of Ibuprofen (2019) (6)
- The formation of biaxial nematic phases in binary mixtures of thermotropic liquid-crystals composed of uniaxial molecules (2019) (6)
- Extending the SAFT-γ Mie approach to model benzoic acid, diphenylamine, and mefenamic acid: Solubility prediction and experimental measurement (2021) (5)
- A generalisation of the Onsager trial function approach: Describing nematic liquid crystals with an algebraic equation of state (2008) (5)
- Stability of the nematic phase of dimerizing aligned cylinders with respect to the smectic and columnar phases (1994) (5)
- Monte Carlo simulation study of the induced deformation of polymer chains dissolved in stretched networks (1999) (5)
- SHAPE EFFECTS IN MOLECULAR LIQUIDS : PHASE EQUILIBRIA OF BINARY MIXTURES INVOLVING CYCLIC MOLECULES (1997) (5)
- Modelling the thermodynamic properties and fluid-phase equilibria of n-perfluoroalkanes and their binary mixtures with the SAFT-γ Mie group contribution equation of state (2020) (4)
- Molecular theory of the static dielectric constant of dipolar fluids. (2022) (4)
- New methods for calculating the free energy of charged defects in solid electrolytes (2013) (4)
- A comparison of the performance of multi-objective optimization methodologies for solvent design (2019) (3)
- Is xenon an ‘ ‘ ennobled ’ ’ alkane ? y (2001) (3)
- The Contribution of the Ion–Ion and Ion–Solvent Interactions in a Molecular Thermodynamic Treatment of Electrolyte Solutions (2022) (3)
- Optimal design of post combustion CO2 capture processes based on phase-change solvents (2019) (3)
- A predictive group-contribution framework for the thermodynamic modelling of CO<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline" id="d1e8626" altimg="si413.svg"><mml:msub><mml:mrow /><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:math> absorption in cyclic amines, al (2022) (3)
- A tensorial fundamental measure density functional theory for the description of adsorption in substrates of arbitrary three-dimensional geometry (2020) (3)
- Toward Sustainable Solvent-Based Postcombustion CO2 Capture (2015) (3)
- Ab initio development of generalized Lennard-Jones (Mie) force fields for predictions of thermodynamic properties in advanced molecular-based SAFT equations of state. (2022) (3)
- Advanced thermodynamic and processing modelling integration for amine scrubbing in post-combustion CO2 capture (2008) (2)
- Carbon capture and storage: the way forward (2018) (2)
- A feasibility-based algorithm for Computer Aided Molecular and Process Design of solvent-based separation systems (2016) (2)
- Modeling the Fluid-Phase Equilibria of Semifluorinated Alkanes and Mixtures of (n-Alkanes + n-Perfluoroalkanes) with the SAFT-γ Mie Group-Contribution Approach (2020) (2)
- Editors of Molecular Physics 1958–2016 (2016) (2)
- Correction: Modelling and prediction of the thermophysical properties of aqueous mixtures of choline geranate and geranic acid (CAGE) using SAFT-γ Mie (2020) (2)
- Robust algorithms for the calculation of phase equilibrium (2010) (2)
- Thermodynamics 2011 Conference Athens, Greece, 31 August–3 September 2011 http://www.thermodynamics2011.org/ (2012) (2)
- Computer-aided Solvent Mixture Design for the Crystallisation and Isolation of Mefenamic Acid (2020) (2)
- Validation of a process model of CO2 capture in an aqueous solvent, using an implicit molecular based treatment of the reactions (2013) (2)
- Reexamination of Tolman's law and the Gibbs adsorption equation for curved interfaces (2017) (2)
- Static and Dynamic Properties of Curved Vapour-Liquid Interfaces by Massively Parallel Molecular Dynamics Simulation (2011) (2)
- On the liquid demixing of water + elastin-like polypeptide mixtures: bimodal re-entrant phase behaviour. (2021) (2)
- An approach for simultaneous computer-aided solvent design and process design for CO2 chemical absorption processes (2021) (1)
- Classical density functional theory for the prediction of the surface tension and interfacial properties of fluids mixtures of chain molecules within the SAFT-VR approach (2010) (1)
- Foundations of Molecular Modelling and Simulation FOMMS 2003 Keystone Resort, Colorado, USA 6–11 July 2003 (2004) (1)
- Liquid – vapour equilibrium of { x BF 3 + ( 1 − x ) n-butane } at 195 . 49 (2003) (1)
- Keith E. Gubbins: A celebration of statistical mechanics (2002) (1)
- Fluidity and diffusion coefficient of simple liquids: a velocity field approach (1991) (1)
- Thermodynamics 2017 Conference — Edinburgh, Scotland, 5–8 September 2017 (2018) (1)
- Towards the identification of optimal solvents for long chain alkanes with the SAFT equation of state (2003) (1)
- A heteronuclear group contribution method for associating chain molecules (SAFT-γ) (2008) (1)
- Theory of Phase Equilibria in Associating Systems: Chain and Ring Aggregates, Amphiphiles, and Liquid Crystals (1995) (1)
- Jean-Pierre Hansen – a stimulating history of simulating fluids (2015) (1)
- SAFT-γ Force Field for the Simulation of Molecular Fluids 9: Coarse-Grained Models for Polyaromatic Hydrocarbons Describing Thermodynamic, Interfacial, Structural, and Transport Properties (2022) (1)
- Phase behaviour and pH-solubility profile prediction of aqueous buffered solutions of ibuprofen and ketoprofen (2022) (1)
- Prediction of Thermophysical Properties of Deep Eutectic Solvents Using the SAFT-γ Mie Group-Contribution Equation of State (2018) (0)
- Developing generalised Onsager models with Maier-Saupe interactions from experimental saturation pressure and density data (2006) (0)
- Predicting the salting out of alkanes in aqueous solutions with strong electrolytes (2002) (0)
- Robust algorithms for the calculation of phase (2010) (0)
- Phase separation in solutions of large spherical particles (1986) (0)
- Editorial – Topical Review (2013) (0)
- Gerhard Findenegg (1938–2019) (2021) (0)
- Applied Statistical Physics Molecular Engineering Conference (2002) (0)
- The Development of a Molecular Systems Engineering Approach to the Design of Carbon-capture Solvents (2017) (0)
- 7th Liblice Conference on the Statistical Mechanics of Liquids Lednice, Czech Republic June 11–16 2006 http://www.icpf.cas.cz/theory/Liblice (2006) (0)
- Comment (2002) (0)
- The Use of SAFT in Obtaining Force Fields for Molecular Simulation of Thermodynamic, Interfacial and Transport Properties: The SAFT-γ Approach (2013) (0)
- Towards Unified Thermodynamic Modeling of Fluids in Carbonate Reservoir Environments (2015) (0)
- Thermodynamics 2019 Conference–Punta Umbría, Costa de la Luz, Huelva, Spain, 26–28 June 2019 (2020) (0)
- Outer approximation algorithm with physical domain (2016) (0)
- Daan Frenkel — An entropic career (2018) (0)
- INVITED ARTICLE Fluid-fluid coexistence in an athermal colloid-polymer mixture: thermodynamic perturbation theory and continuum molecular-dynamics simulation (2015) (0)
- Jackson The excess equimolar radius of liquid drops (2011) (0)
- Predicting the anomalous temperature dependence of n-alkanes in aqueous solution using SAFT-VR approach (2001) (0)
- Simultaneous prediction of phase behaviour and second derivative properties with a group contribution approach (SAFT-γ Mie) (2011) (0)
- Announcement of the winner of the Longuet-Higgins Early Career Researcher Prize 2019 (2020) (0)
- A tribute to Alan Soper – foreword by the editors (2019) (0)
- Announcement of the winner of the Longuet–Higgins Early Career Researcher Prize 2016 (2017) (0)
- Development of a coarse-grained force field for aqueous non-ionic surfactant systems using a molecular based equation of state (2013) (0)
- Integrated Modeling of Mixture Fluid Phase Equilibrium Experiments Using SAFT-VR Applied to Xenon + Diborane, Xenon + Cyclopropane, Xenon + Boron Trifluoride (2009) (0)
- Fluid–fluid coexistence in an athermal colloid–polymer mixture: thermodynamic perturbation theory and continuum molecular-dynamics simulation (2015) (0)
- Announcement of the winner of the Longuet-Higgins early career researcher prize 2017 (2018) (0)
- Historical review (2013) (0)
- Special Issue in Memory of John Adair Barker (1998) (0)
- Influence of Tie-Molecules and Microstructure on the Fluid Solubility in Semicrystalline Polymers (2022) (0)
- Enabling the direct solution of challenging computer-aided molecular and process design problems: Chemical absorption of carbon dioxide (2023) (0)
- Understanding the fluid phase equilibria in n-alkanes - polyethylene systems (2001) (0)
- 8th Liblice Conference on the Statistical Mechanics of Liquids – Brno, Czech Republic, 13–18 June 2010 (2011) (0)
- Multi-objective optimization of equation of state molecular parameters: SAFT-VR Mie models for water (2022) (0)
- John Adair Barker 24 March 1925–27 October 1995 (1998) (0)
- Modelling the Liquid Phase Behaviour of Aqueous Non-Ionic Amphiphilic Mixtures in the Presence of Oil and Salt Modelled with SAFT-VRE (2009) (0)
- A molecular framework for modelling the surface tensions and surface excesses of dilute surfactant solutions (2016) (0)
- Publisher's Note: "Orientational ordering and phase behaviour of binary mixtures of hard spheres and hard spherocylinders" [J. Chem. Phys. 143, 044906 (2015)]. (2015) (0)
- Announcement of the winner of the Longuet-Higgins Early Career Researcher Prize 2018 (2020) (0)
- Announcement of the winner of the Longuet–Higgins Early Career Researcher Prize 2015 (2016) (0)
- Special Issue in Molecular Engineering (2001) (0)
- Special Issue in Molecular Engineering (2001) (0)
- Fluid Phase Equilibria Modelling the phase and chemical equilibria of aqueous solutions of alkanolamines and carbon dioxide using the SAFT- (cid:2) SW group contribution approach (2015) (0)
- Special issue in honour of Michael L. Klein FRS (2021) (0)
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