Brandon Fields & Patrick K. Schelling. (2024) Connection between partial pressure, volatility, and the Soret effect elucidated using simulations of nonideal supercritical fluid mixtures. The Journal of Chemical Physics 160:8.
Crossref
Richard J. Sadus. 2024. Molecular Simulation of Fluids. Molecular Simulation of Fluids
51
116
.
Nurzhan Seitmaganbetov, Nima Rezaei & Ali Shafiei. (2021) Characterization of crude oils and asphaltenes using the PC-SAFT EoS: A systematic review. Fuel 291, pages 120180.
Crossref
Ismail I.I. Alkhatib, Fèlix Llovell & Lourdes F. Vega. (2021) Assessing the effect of impurities on the thermophysical properties of methane-based energy systems using polar soft-SAFT. Fluid Phase Equilibria 527, pages 112841.
Crossref
Jurij Avsec. Thermophysical properties for components participating in Cu-Cl cycle. Thermophysical properties for components participating in Cu-Cl cycle.
Anna Varughese, Shubhanjali Pathak & Prasanth P. Jose. Surface induced anomalous glassy relaxation in phase separated Lennard-Jones liquid. Surface induced anomalous glassy relaxation in phase separated Lennard-Jones liquid.
Anna Varughese & Prasanth P. Jose. (2016) Microscopic structure and dynamics of glass like domains in a low density binary mixture. Journal of Physics: Conference Series 759, pages 012019.
Crossref
Keith E. Gubbins. (2016) Perturbation theories of the thermodynamics of polar and associating liquids: A historical perspective. Fluid Phase Equilibria 416, pages 3-17.
Crossref
Andrzej Patrykiejew, Stefan Sokolowski & Orest Pizio. 2016. Surface and Interface Science. Surface and Interface Science
883
1253
.
Claire A. Lemarchand, Thomas B. Schrøder, Jeppe C. Dyre & Jesper S. Hansen. (2014) Cooee bitumen. II. Stability of linear asphaltene nanoaggregates. The Journal of Chemical Physics 141:14.
Crossref
S. Sokołowski & Y. V. Kalyuzhnyi. (2014) Re-entrant Phase Behavior in Confined Two-Patch Colloidal Particles. The Journal of Physical Chemistry B 118:30, pages 9076-9084.
Crossref
Thomas Lafitte, Anastasia Apostolakou, Carlos Avendaño, Amparo Galindo, Claire S. Adjiman, Erich A. Müller & George Jackson. (2013) Accurate statistical associating fluid theory for chain molecules formed from Mie segments. The Journal of Chemical Physics 139:15.
Crossref
J Solana. 2013. Perturbation Theories for the Thermodynamic Properties of Fluids and Solids. Perturbation Theories for the Thermodynamic Properties of Fluids and Solids.
Sandip Khan & Jayant K. Singh. (2010) Prewetting transitions of one site associating fluids. The Journal of Chemical Physics 132:14.
Crossref
Keith E. Gubbins & Joshua D. Moore. (2010) Molecular Modeling of Matter: Impact and Prospects in Engineering. Industrial & Engineering Chemistry Research 49:7, pages 3026-3046.
Crossref
Lourdes F. Vega, Fèlix Llovell & Felipe J. Blas. (2009)
Capturing the Solubility Minima of
n
-Alkanes in Water by Soft-SAFT
. The Journal of Physical Chemistry B 113:21, pages 7621-7630.
Crossref
Chu Nie, W.H. Marlow & Y.A. Hassan. (2008) Discussion of proposed mechanisms of thermal conductivity enhancement in nanofluids. International Journal of Heat and Mass Transfer 51:5-6, pages 1342-1348.
Crossref
Philip J. Lenart & Athanassios Z. Panagiotopoulos. (2006) Tracing the Critical Loci of Binary Fluid Mixtures Using Molecular Simulation. The Journal of Physical Chemistry B 110:34, pages 17200-17206.
Crossref
Fèlix Llovell & Lourdes F. Vega. (2006) Prediction of Thermodynamic Derivative Properties of Pure Fluids through the Soft-SAFT Equation of State. The Journal of Physical Chemistry B 110:23, pages 11427-11437.
Crossref
Fèlix Llovell & Lourdes F. Vega. (2005) Global Fluid Phase Equilibria and Critical Phenomena of Selected Mixtures Using the Crossover Soft-SAFT Equation. The Journal of Physical Chemistry B 110:3, pages 1350-1362.
Crossref
T.J. Sheldon, B. Giner, C.S. Adjiman, A. Galindo, G. Jackson, D. Jacquemin, V. Wathelet & E.A. Perpète. 2006. Multiscale Modelling of Polymer Properties. Multiscale Modelling of Polymer Properties
143
159
.
J. Avsec & K. Watanabe. (2005) An Approach to Calculate Thermodynamic Properties of Mixtures Including Propane, n-Butane, and Isobutane. International Journal of Thermophysics 26:6, pages 1769-1780.
Crossref
P. Orea. (2005) Monte Carlo study of interfacial properties of associating fluids. The Journal of Chemical Physics 123:14.
Crossref
María Carolina dos Ramos & Felipe J. Blas. (2005)
Examination of the Excess Thermodynamic Properties of
n
-Alkane Binary Mixtures: A Molecular Approach
. The Journal of Physical Chemistry B 109:24, pages 12145-12153.
Crossref
J. Avsec & K. Watanabe. (2005) Statistical Approach to Calculate Thermodynamic Properties for Propane. International Journal of Thermophysics 26:2, pages 453-470.
Crossref
Jayant K. Singh & David A. Kofke. (2004) Molecular simulation study of effect of molecular association on vapor-liquid interfacial properties. The Journal of Chemical Physics 121:19, pages 9574-9580.
Crossref
Patrice Paricaud, Amparo Galindo & George Jackson. (2004) Modeling the Cloud Curves and the Solubility of Gases in Amorphous and Semicrystalline Polyethylene with the SAFT-VR Approach and Flory Theory of Crystallization. Industrial & Engineering Chemistry Research 43:21, pages 6871-6889.
Crossref
J. Avsec & K. Watanabe. (2004) An application of statistical chain theories on thermodynamic properties of hydrocarbon refrigerants. Journal of Molecular Liquids 113:1-3, pages 101-113.
Crossref
Jurij Avsec, Milan Marcic & Koichi Watanabe. (2004) Study of Lennard-Jones Chains for Hydrocarbons. Journal of Thermophysics and Heat Transfer 18:2, pages 243-252.
Crossref
L. G. MacDowell, P. Virnau, M. Müller & K. Binder. (2002) Critical lines and phase coexistence of polymer solutions: A quantitative comparison between Wertheim’s thermodynamic perturbation theory and computer simulations. The Journal of Chemical Physics 117:13, pages 6360-6371.
Crossref
Amparo Galindo & Felipe J. Blas. (2002)
Theoretical Examination of the Global Fluid Phase Behavior and Critical Phenomena in Carbon Dioxide +
n
-Alkane Binary Mixtures
. The Journal of Physical Chemistry B 106:17, pages 4503-4515.
Crossref
Patrice Paricaud, Amparo Galindo & George Jackson. (2002) Recent advances in the use of the SAFT approach in describing electrolytes, interfaces, liquid crystals and polymers. Fluid Phase Equilibria 194-197, pages 87-96.
Crossref
Clare McCabeAmparo GalindoM. Nieves García-LisbonaGeorge Jackson. (2001) Examining the Adsorption (Vapor−Liquid Equilibria) of Short-Chain Hydrocarbons in Low-Density Polyethylene with the SAFT-VR Approach. Industrial & Engineering Chemistry Research 40:17, pages 3835-3842.
Crossref
Erich A. Müller & Keith E. Gubbins. (2001) Molecular-Based Equations of State for Associating Fluids: A Review of SAFT and Related Approaches. Industrial & Engineering Chemistry Research 40:10, pages 2193-2211.
Crossref
C.-T. Lin & G. Stell. (2001) The equilibrium theory for Lennard-Jones dimer fluids. The Journal of Chemical Physics 114:16, pages 6969-6972.
Crossref
Orest Pizio, Andrzej Patrykiejew & Stefan Sokołowski. (2000) Evaluation of liquid–vapor density profiles for associating fluids in pores from density-functional theory. The Journal of Chemical Physics 113:23, pages 10761-10767.
Crossref
Beatriz Millan Malo, Lorena Salazar, Stefan Sokolowski & Orest Pizio. (2000) Application of the density functional method to study adsorption and phase transitions in two-site associating, Lennard-Jones fluids in cylindrical pores. Journal of Physics: Condensed Matter 12:41, pages 8785-8800.
Crossref
Felipe J. Blas. (2000)
Excess Thermodynamic Properties of Chainlike Mixtures. 1. Predictions from the
Soft
−SAFT Equation of State and Molecular Simulation
. The Journal of Physical Chemistry B 104:39, pages 9239-9248.
Crossref
Beatriz Millan Malo, Adrian Huerta, Orest Pizio & Stefan Sokołowski. (2000) Phase Behavior of Associating Two- and Four-Bonding Sites Lennard-Jones Fluid in Contact with Solid Surfaces. The Journal of Physical Chemistry B 104:32, pages 7756-7763.
Crossref
Jacek Dudowicz, Karl F. Freed & Jack F. Douglas. (2000) Lattice model of living polymerization. III. Evidence for particle clustering from phase separation properties and “rounding” of the dynamical clustering transition. The Journal of Chemical Physics 113:1, pages 434-446.
Crossref
Yiping Tang & Benjamin C.-Y. Lu. (2000) A study of associating Lennard–Jones chains by a new reference radial distribution function. Fluid Phase Equilibria 171:1-2, pages 27-44.
Crossref
M. Borówko, R. Zagórski & S. Sokołowski. (2000) Wetting of Crystalline Solids by Associating Fluids. Journal of Colloid and Interface Science 225:1, pages 147-153.
Crossref
Adrian Huerta, Orest Pizio & Stefan Sokołowski. (2000) Phase transitions in an associating, network-forming, Lennard-Jones fluid in slit-like pores. II. Extension of the density functional method. The Journal of Chemical Physics 112:9, pages 4286-4295.
Crossref
V. Talanquer & David W. Oxtoby. (2000) Gas–liquid nucleation in associating fluids. The Journal of Chemical Physics 112:2, pages 851-856.
Crossref
N.A. Smirnova & A.I. Victorov. 2000. Equations of State for Fluids and Fluid Mixtures. Equations of State for Fluids and Fluid Mixtures
255
288
.
Krzysztof Stepniak, Andrzej Patrykiejew, Zofia Sokołowska & Stefan Sokołowski. (1999) Capillary Condensation of Associating Fluids in Slit-Like Pores: A Density Functional Theory. Journal of Colloid and Interface Science 214:1, pages 91-100.
Crossref
Andrzej Patrykiejew & Stefan Sokołowski. (1999) Adsorption of Associating Fluids on Solid Surfaces: Wetting Transition from Density Functional Theory. The Journal of Physical Chemistry B 103:21, pages 4466-4473.
Crossref
Donald P. ViscoJr.Jr. & David A. Kofke. (1999) Modeling the Monte Carlo simulation of associating fluids. The Journal of Chemical Physics 110:12, pages 5493-5502.
Crossref
J. Karl Johnson. 1999. Advances in Chemical Physics. Advances in Chemical Physics
461
481
.
Felipe J. Blas & Lourdes F. Vega. (1998) Critical behavior and partial miscibility phenomena in binary mixtures of hydrocarbons by the statistical associating fluid theory. The Journal of Chemical Physics 109:17, pages 7405-7413.
Crossref
Felipe J. Blas & Lourdes F. Vega. (1998) Prediction of Binary and Ternary Diagrams Using the Statistical Associating Fluid Theory (SAFT) Equation of State. Industrial & Engineering Chemistry Research 37:2, pages 660-674.
Crossref
Fernando Bresme, Enrique Lomb & José L. F. Abascal. (1997) Influence of association on the liquid–vapor phase coexistence of simple systems. The Journal of Chemical Physics 106:4, pages 1569-1575.
Crossref
C. Caccamo. (1996) Integral equation theory description of phase equilibria in classical fluids. Physics Reports 274:1-2, pages 1-105.
Crossref
Dmitry V. Matyushov & Roland Schmid. (1996) Calculation of Lennard-Jones energies of molecular fluids. The Journal of Chemical Physics 104:21, pages 8627-8638.
Crossref
Amparo GalindoPaul J. WhiteheadGeorge Jackson. (1996)
Predicting the High-Pressure Phase Equilibria of Water +
n
-Alkanes Using a Simplified SAFT Theory with Transferable Intermolecular Interaction Parameters
. The Journal of Physical Chemistry 100:16, pages 6781-6792.
Crossref
N. A. Busch, M. S. Wertheim & M. L. Yarmush. (1996)
Monte Carlo simulation of
n
-member associating fluids: Application to antigen–antibody systems
. The Journal of Chemical Physics 104:11, pages 3962-3975.
Crossref
J. Karl Johnson. (1996) Perturbation theory and computer simulations for linear and ring model polymers. The Journal of Chemical Physics 104:4, pages 1729-1742.
Crossref
Thomas Kraska & Keith E. Gubbins. (1996) Phase Equilibria Calculations with a Modified SAFT Equation of State. 1. Pure Alkanes, Alkanols, and Water. Industrial & Engineering Chemistry Research 35:12, pages 4727-4737.
Crossref
Y.-J. Sheng, A. Z. Panagiotopoulos & S. K. Kumar. (1995) Mixing properties of model polymer/solvent systems. The Journal of Chemical Physics 103:23, pages 10315-10324.
Crossref
Enrico Matteoli & G. Ali Mansoori. (1995) A simple expression for radial distribution functions of pure fluids and mixtures. The Journal of Chemical Physics 103:11, pages 4672-4677.
Crossref
Lloyd L. Lee. (1995) A potential distribution approach to fused heterochain molecules. I. Mixtures of hard dumbbells and spheres. The Journal of Chemical Physics 103:10, pages 4221-4233.
Crossref
Erich A. Müller, Keith E. Gubbins, Dimitrios M. Tsangaris & Juan J. de Pablo. (1995) Comment on the accuracy of Wertheim’s theory of associating fluids. The Journal of Chemical Physics 103:9, pages 3868-3869.
Crossref
I. V. Prikhodko, Th. W. de Loos & A. I. Victorov. (1995) Prediction of multiphase equilibria in associating fluids by a contact-site quasichemical equation of state. International Journal of Thermophysics 16:5, pages 1287-1297.
Crossref
E. A. M�ller, L. F. Vega & K. E. Gubbin. (1995) Molecular simulation and theory of associating chain molecules. International Journal of Thermophysics 16:3, pages 705-713.
Crossref
Dhananjay Ghonasgi & Walter G. Chapman. (1995) Competition between intermolecular and intramolecular association in flexible hard chain molecules. The Journal of Chemical Physics 102:6, pages 2585-2592.
Crossref
Athanassios Z. Panagiotopoulos. 1995. Observation, Prediction and Simulation of Phase Transitions in Complex Fluids. Observation, Prediction and Simulation of Phase Transitions in Complex Fluids
463
501
.
N. A. Busch, M. S. Wertheim, Y. C. Chiew & M. L. Yarmush. (1994) A Monte Carlo method for simulating associating fluids. The Journal of Chemical Physics 101:4, pages 3147-3156.
Crossref
D. M. Tsangaris & J. J. de Pablo. (1994) Bond-bias simulation of phase equilibria for strongly associating fluids. The Journal of Chemical Physics 101:2, pages 1477-1489.
Crossref
D. Ghonasgi & Walter G. Chapman. (2004) Prediction of the properties of model polymer solutions and blends. AIChE Journal 40:5, pages 878-887.
Crossref
Jun Wang & A. D. J. Haymet. (1994) Integral equation theory for associating liquids: Dimer and trimer concentrations for model 1–3 electrolytes. The Journal of Chemical Physics 100:5, pages 3767-3774.
Crossref
D. Ghonasgi, M. Llano-Restrepo & W. G. Chapman. (1993) Henry’s law constant for diatomic and polyatomic Lennard-Jones molecules. The Journal of Chemical Physics 98:7, pages 5662-5667.
Crossref
Keith E. Gubbins. (1993) Applications of molecular simulation. Fluid Phase Equilibria 83, pages 1-14.
Crossref