Lista de obras - George Jackson - Dominio Público Uruguay

A group contribution method for associating chain molecules based on the statistical associating fluid theory (SAFT-gamma).

artículo científico publicado en 2007

A hierarchical method to integrated solvent and process design of physical CO2absorption using the SAFT-γ Mie approach

A kinetic theory description of the viscosity of dense fluids consisting of chain molecules

artículo científico publicado en 2008

A perspective on the interfacial properties of nanoscopic liquid drops.

artículo científico publicado en 2012

Accurate statistical associating fluid theory for chain molecules formed from Mie segments

artículo científico publicado en 2013

Aggregation Behavior of Model Asphaltenes Revealed from Large-Scale Coarse-Grained Molecular Simulations

scientific article published on 04 March 2019

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

artículo científico publicado en 2004

An investigation of free-energy-averaged (coarse-grained) potentials for fluid adsorption on heterogeneous solid surfaces

scientific article published on 01 November 2019

An overview of CO2 capture technologies

article published in 2010

Cholesteric order in systems of helical Yukawa rods ⬇️

artículo científico publicado el 27 de abril de 2011

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

artículo científico publicado en 2010

Communications: Evidence for the role of fluctuations in the thermodynamics of nanoscale drops and the implications in computations of the surface tension

artículo científico publicado en 2010

Daan Frenkel — An entropic career

Demixing, surface nematization, and competing adsorption in binary mixtures of hard rods and hard spheres under confinement

artículo científico publicado en 2018

Effective coarse-grained solid-fluid potentials and their application to model adsorption of fluids on heterogeneous surfaces.

artículo científico publicado en 2014

Examining the Adsorption (Vapor−Liquid Equilibria) of Short-Chain Hydrocarbons in Low-Density Polyethylene with the SAFT-VR Approach

article published in 2001

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.

artículo científico publicado en 2007

Excess equimolar radius of liquid drops

artículo científico publicado en 2012

Force-field parameters from the SAFT-γ equation of state for use in coarse-grained molecular simulations.

artículo científico publicado en 2014

Fouling in Crude Oil Preheat Trains: A Systematic Solution to an Old Problem

Generalized van der Waals theory for the twist elastic modulus and helical pitch of cholesterics

artículo científico publicado en 2009

Gibbs ensemble computer simulation and SAFT-VR theory of non-conformal square-well monomer–dimer mixtures

Group contribution methodology based on the statistical associating fluid theory for heteronuclear molecules formed from Mie segments

artículo científico publicado en 2014

Is xenon an “ennobled” alkane?

scholarly article by Eduardo J. M. Filipe et al published 2002 in Physical Chemistry Chemical Physics

Island of vapor-liquid coexistence in dipolar hard-core systems

artículo científico publicado en 1996

Jean-Pierre Hansen – a stimulating history of simulating fluids

Liquid Crystal Phase Transitions in Systems of Colloidal Platelets with Bimodal Shape Distribution

article

Liquid crystal phase behaviour of attractive disc-like particles

artículo científico publicado en 2013

Liquid–vapour equilibrium of {xBF3 + (1 − x)n-butane} at 195.49 K

Many-fluid Onsager density functional theories for orientational ordering in mixtures of anisotropic hard-body fluids

artículo científico publicado en 2008

Nematic phase transitions in mixtures of thin and thick colloidal rods

scientific article published on 07 February 2005

Nematic-nematic phase separation in binary mixtures of thick and thin hard rods: results from Onsager-like theories

artículo científico publicado en 2005

New methods for calculating the free energy of charged defects in solid electrolytes

artículo científico publicado en 2013

Nonequilibrium study of the intrinsic free-energy profile across a liquid-vapour interface

artículo científico publicado en 2016

On the liquid mixtures of xenon, alkanes and perfluorinated compounds

scholarly article by Clare McCabe et al published 2001 in Physical Chemistry Chemical Physics

On the molecular origin of high-pressure effects in nanoconfinement: the role of surface chemistry and roughness

artículo científico publicado en 2013

On the use of molecular-based thermodynamic models to assess the performance of solvents for CO2 capture processes: monoethanolamine solutions

artículo científico publicado en 2016

Ordering transitions, biaxiality, and demixing in the symmetric binary mixture of rod and plate molecules described with the Onsager theory

artículo científico publicado en 2002

Orientational ordering and phase behaviour of binary mixtures of hard spheres and hard spherocylinders. ⬇️

artículo científico publicado en 2015

Perturbation theory versus thermodynamic integration. Beyond a mean-field treatment of pair correlations in a nematic model liquid crystal.

artículo científico publicado en 2017

Phase equilibria of a square-well monomer-dimer mixture: Gibbs ensemble computer simulation and statistical associating fluid theory for potentials of variable range

Predicting enhanced absorption of light gases in polyethylene using simplified PC-SAFT and SAFT-VR

article published in 2006

Predicting the Fluid-Phase Behavior of Aqueous Solutions of ELP (VPGVG) Sequences Using SAFT-VR.

artículo científico publicado en 2017

Predicting the High-Pressure Phase Equilibria of Binary Mixtures of Perfluoro-n-alkanes +n-Alkanes Using the SAFT-VR Approach

article published in 1998

Predicting the High-Pressure Phase Equilibria of Methane +n-Hexane Using the SAFT-VR Approach

article published in 1998

Predictive models for the phase behaviour and solution properties of weak electrolytes: nitric, sulphuric, and carbonic acids

artículo científico publicado en 2020

Pseudo hard-sphere potential for use in continuous molecular-dynamics simulation of spherical and chain molecules.

artículo científico publicado en 2012

Reentrant nematic phase in a mixture of associating cylindrical molecules

scientific article published on 01 May 1995

SAFT-VR modelling of the phase equilibrium of long-chain n-alkanes

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

artículo científico publicado en 2018

SAFT-γ force field for the simulation of molecular fluids. 1. A single-site coarse grained model of carbon dioxide

artículo científico publicado en 2011

SAFT-γ force field for the simulation of molecular fluids: 2. Coarse-grained models of greenhouse gases, refrigerants, and long alkanes.

artículo científico publicado en 2013

SAFT: Equation-of-state solution model for associating fluids

article

Smectic-A and smectic-A2 phases in aligned cylinders with a cylindrical attractive square well at one end

artículo científico publicado en 1995

Statistical associating fluid theory for chain molecules with attractive potentials of variable range

Structure and Interfacial Tension of a Hard-Rod Fluid in Planar Confinement.

artículo científico publicado en 2017

Surface tension of the Widom-Rowlinson model.

artículo científico publicado en 2007

Surface thermodynamics of planar, cylindrical, and spherical vapour-liquid interfaces of water.

artículo científico publicado en 2015

Test-area simulation method for the direct determination of the interfacial tension of systems with continuous or discontinuous potentials

artículo científico publicado en 2005

The nature of the calculation of the pressure in molecular simulations of continuous models from volume perturbations

artículo científico publicado en 2006

Thermodynamic perturbation theory for association into chains and rings

artículo científico publicado en 1994

Thermodynamics of Liquid Mixtures of Xenon with Alkanes: (Xenon + Ethane) and (Xenon + Propane)

scholarly article by Eduardo J. M. Filipe et al published February 2000 in Journal of Physical Chemistry

Thermodynamics of Liquid Mixtures of Xenon with Alkanes: (Xenon +n-Butane) and (Xenon + Isobutane)

scholarly article by Eduardo J. M. Filipe et al published February 2000 in Journal of Physical Chemistry

Thermotropic Biaxial Liquid Crystalline Phases in a Mixture of Attractive Uniaxial Rod and Disk Particles

scientific article published in Physical Review Letters

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.

artículo científico publicado en 2011

Vapor pressure and density of thermotropic liquid crystals: MBBA, 5CB, and novel fluorinated mesogens

artículo científico publicado en 2008

Vapor-liquid interfacial properties of fully flexible Lennard-Jones chains

artículo científico publicado en 2008

Viscosity of liquid mixtures: The Vesovic-Wakeham method for chain molecules

scientific article published on 01 February 2012

Water droplet excess free energy determined by cluster mitosis using guided molecular dynamics.

artículo científico publicado en 2015

Lista de obras de George Jackson

A group contribution method for associating chain molecules based on the statistical associating fluid theory (SAFT-gamma).

A hierarchical method to integrated solvent and process design of physical CO2absorption using the SAFT-γ Mie approach

A kinetic theory description of the viscosity of dense fluids consisting of chain molecules

A perspective on the interfacial properties of nanoscopic liquid drops.

Accurate statistical associating fluid theory for chain molecules formed from Mie segments

Aggregation Behavior of Model Asphaltenes Revealed from Large-Scale Coarse-Grained Molecular Simulations

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

An investigation of free-energy-averaged (coarse-grained) potentials for fluid adsorption on heterogeneous solid surfaces

An overview of CO2 capture technologies

Cholesteric order in systems of helical Yukawa rods ⬇️

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

Communications: Evidence for the role of fluctuations in the thermodynamics of nanoscale drops and the implications in computations of the surface tension

Daan Frenkel — An entropic career

Demixing, surface nematization, and competing adsorption in binary mixtures of hard rods and hard spheres under confinement

Effective coarse-grained solid-fluid potentials and their application to model adsorption of fluids on heterogeneous surfaces.

Examining the Adsorption (Vapor−Liquid Equilibria) of Short-Chain Hydrocarbons in Low-Density Polyethylene with the SAFT-VR Approach

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.

Excess equimolar radius of liquid drops

Force-field parameters from the SAFT-γ equation of state for use in coarse-grained molecular simulations.

Fouling in Crude Oil Preheat Trains: A Systematic Solution to an Old Problem

Generalized van der Waals theory for the twist elastic modulus and helical pitch of cholesterics

Gibbs ensemble computer simulation and SAFT-VR theory of non-conformal square-well monomer–dimer mixtures

Group contribution methodology based on the statistical associating fluid theory for heteronuclear molecules formed from Mie segments

Is xenon an “ennobled” alkane?

Island of vapor-liquid coexistence in dipolar hard-core systems

Jean-Pierre Hansen – a stimulating history of simulating fluids

Liquid Crystal Phase Transitions in Systems of Colloidal Platelets with Bimodal Shape Distribution

Liquid crystal phase behaviour of attractive disc-like particles

Liquid–vapour equilibrium of {xBF3 + (1 − x)n-butane} at 195.49 K

Many-fluid Onsager density functional theories for orientational ordering in mixtures of anisotropic hard-body fluids

Nematic phase transitions in mixtures of thin and thick colloidal rods

Nematic-nematic phase separation in binary mixtures of thick and thin hard rods: results from Onsager-like theories

New methods for calculating the free energy of charged defects in solid electrolytes

Nonequilibrium study of the intrinsic free-energy profile across a liquid-vapour interface

On the liquid mixtures of xenon, alkanes and perfluorinated compounds

On the molecular origin of high-pressure effects in nanoconfinement: the role of surface chemistry and roughness

On the use of molecular-based thermodynamic models to assess the performance of solvents for CO2 capture processes: monoethanolamine solutions

Ordering transitions, biaxiality, and demixing in the symmetric binary mixture of rod and plate molecules described with the Onsager theory

Orientational ordering and phase behaviour of binary mixtures of hard spheres and hard spherocylinders. ⬇️

Perturbation theory versus thermodynamic integration. Beyond a mean-field treatment of pair correlations in a nematic model liquid crystal.

Phase equilibria of a square-well monomer-dimer mixture: Gibbs ensemble computer simulation and statistical associating fluid theory for potentials of variable range

Predicting enhanced absorption of light gases in polyethylene using simplified PC-SAFT and SAFT-VR

Predicting the Fluid-Phase Behavior of Aqueous Solutions of ELP (VPGVG) Sequences Using SAFT-VR.

Predicting the High-Pressure Phase Equilibria of Binary Mixtures of Perfluoro-n-alkanes +n-Alkanes Using the SAFT-VR Approach

Predicting the High-Pressure Phase Equilibria of Methane +n-Hexane Using the SAFT-VR Approach

Predictive models for the phase behaviour and solution properties of weak electrolytes: nitric, sulphuric, and carbonic acids

Pseudo hard-sphere potential for use in continuous molecular-dynamics simulation of spherical and chain molecules.

Reentrant nematic phase in a mixture of associating cylindrical molecules

SAFT-VR modelling of the phase equilibrium of long-chain n-alkanes

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

SAFT-γ force field for the simulation of molecular fluids. 1. A single-site coarse grained model of carbon dioxide

SAFT-γ force field for the simulation of molecular fluids: 2. Coarse-grained models of greenhouse gases, refrigerants, and long alkanes.

SAFT: Equation-of-state solution model for associating fluids

Smectic-A and smectic-A2 phases in aligned cylinders with a cylindrical attractive square well at one end

Statistical associating fluid theory for chain molecules with attractive potentials of variable range

Structure and Interfacial Tension of a Hard-Rod Fluid in Planar Confinement.

Surface tension of the Widom-Rowlinson model.

Surface thermodynamics of planar, cylindrical, and spherical vapour-liquid interfaces of water.

Test-area simulation method for the direct determination of the interfacial tension of systems with continuous or discontinuous potentials

The nature of the calculation of the pressure in molecular simulations of continuous models from volume perturbations

Thermodynamic perturbation theory for association into chains and rings

Thermodynamics of Liquid Mixtures of Xenon with Alkanes: (Xenon + Ethane) and (Xenon + Propane)

Thermodynamics of Liquid Mixtures of Xenon with Alkanes: (Xenon +n-Butane) and (Xenon + Isobutane)

Thermotropic Biaxial Liquid Crystalline Phases in a Mixture of Attractive Uniaxial Rod and Disk Particles

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.

Vapor pressure and density of thermotropic liquid crystals: MBBA, 5CB, and novel fluorinated mesogens

Vapor-liquid interfacial properties of fully flexible Lennard-Jones chains

Viscosity of liquid mixtures: The Vesovic-Wakeham method for chain molecules

Water droplet excess free energy determined by cluster mitosis using guided molecular dynamics.