Publications
216 results found
Muller E A, 2000, A Thermodynamics problem with two conflicting solutions, Chem. Eng. Educ., Vol: 34
Muller E A, Gubbins K E, 2000, Associating Fluids and Mixtures, Equations of State for Fluids and Fluid Mixtures, Editors: J V Sengers, Kayser, Peters, Publisher: Elsevier
Chacín A, Vázquez JM, Müller EA, 1999, Molecular simulation of the Joule-Thomson inversion curve of carbon dioxide, FLUID PHASE EQUILIBRIA, Vol: 165, Pages: 147-155, ISSN: 0378-3812
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- Citations: 43
Yelash LV, Kraska T, Müller EA, et al., 1999, Simplified equation of state for non-spherical hard particles:: an optimized shape factor approach, PHYSICAL CHEMISTRY CHEMICAL PHYSICS, Vol: 1, Pages: 4919-4924, ISSN: 1463-9076
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- Citations: 21
Carnahan NF, Müller EA, Pikunic J, 1999, Shape factors and interaction parameters in equations of state -: Part I.: Repulsion phenomena in rigid particle systems, 1st Workshop on Global Phase Diagrams, Publisher: ROYAL SOC CHEMISTRY, Pages: 4259-4266, ISSN: 1463-9076
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- Citations: 9
McCallum CL, Bandosz TJ, McGrother SC, et al., 1999, A molecular model for adsorption of water on activated carbon:: Comparison of simulation and experiment, LANGMUIR, Vol: 15, Pages: 533-544, ISSN: 0743-7463
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- Citations: 272
Colina CM, Müller EA, 1999, Molecular simulation of Joule-Thomson inversion curves, 13th Symposium on Thermophysical Properties, Publisher: SPRINGER/PLENUM PUBLISHERS, Pages: 229-235, ISSN: 0195-928X
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- Citations: 36
Ledanois JM, Muller EA, Colina CM, et al., 1998, Correlations for direct calculation of vapor pressures from cubic equations of state, INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH, Vol: 37, Pages: 1673-1678, ISSN: 0888-5885
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- Citations: 3
Muller E A, 1998, Simulación molecular del comportamiento hidrofílico de carbones activados porosos, Informacion tecnologica, Vol: 9
Muller EA, Gubbins KE, 1998, Molecular simulation study of hydrophilic and hydrophobic behavior of activated carbon surfaces, CARBON, Vol: 36, Pages: 1433-1438, ISSN: 0008-6223
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- Citations: 175
Muller E A, 1998, Human Societies: A curious application of thermodynamics, Chem. Eng. Educ., Vol: 32
Colina C, Muller EA, 1997, Joule-Thomson inversion curves by molecular simulation, MOLECULAR SIMULATION, Vol: 19, Pages: 237-246, ISSN: 0892-7022
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- Citations: 24
Muller EA, Rull LF, Vega LF, et al., 1996, Adsorption of water on activated carbons: A molecular simulation study, JOURNAL OF PHYSICAL CHEMISTRY, Vol: 100, Pages: 1189-1196, ISSN: 0022-3654
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- Citations: 341
Vega LF, Muller EA, Rull LF, et al., 1996, Adsorption isotherms of associating fluids in slit-like pores. A Monte Carlo simulation study., 5th International Conference on Fundamentals of Adsorption, Publisher: KLUWER ACADEMIC PUBLISHERS, Pages: 993-1000, ISSN: 0893-3405
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- Citations: 1
Vega LF, Muller EA, Rull LF, et al., 1996, Effect of surface active sites on adsorption of associating chain molecules in pores: A Monte Carlo study, ADSORPTION-JOURNAL OF THE INTERNATIONAL ADSORPTION SOCIETY, Vol: 2, Pages: 59-68, ISSN: 0929-5607
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- Citations: 9
MULLER EA, GUBBINS KE, 1995, AN EQUATION OF STATE FOR WATER FROM A SIMPLIFIED INTERMOLECULAR POTENTIAL, INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH, Vol: 34, Pages: 3662-3673, ISSN: 0888-5885
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- Citations: 115
MULLER EA, GUBBINS KE, TSANGARIS DM, et al., 1995, THE ACCURACY OF WERTHEIMS THEORY OF ASSOCIATING FLUIDS - COMMENT, JOURNAL OF CHEMICAL PHYSICS, Vol: 103, Pages: 3868-3869, ISSN: 0021-9606
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- Citations: 19
Müller EA, Vega LF, Gubbin KE, 1995, Molecular simulation and theory of associating chain molecules, Pages: 705-713, ISSN: 0195-928X
A closed-form statistical mechanical based equation of state for associating chain fluids is presented. A Lennard-Jones chain is used as a reference to account for the repulsive, dispersive and anisotropic (size) contributions, while the short-range directional attraction is treated as a perturbation expansion based on Wertheim's first-order theory of associating fluids. A model fluid composed of a chain of tangently bonded Lennard-Jones spheres with an associating square-well site at one of the end spheres is studied. Isobaric-isothermal Monte Carlo simulations were performed for this model at subcritical and supercritical temperatures at a association strength typical of hydrogen-bonding systems. The theory is seen accurately to predict the simulation results subject to the limitations of the equation of state of the reference fluid. The system studied has some of the main complexities found in associating chain molecules such as organic acids, alkanols, and primary amines. © 1995 Plenum Publishing Corporation.
MULLER EA, VEGA LF, GUBBINS KE, et al., 1995, ADSORPTION-ISOTHERMS OF ASSOCIATING CHAIN MOLECULES FROM MONTE-CARLO SIMULATIONS, MOLECULAR PHYSICS, Vol: 85, Pages: 9-21, ISSN: 0026-8976
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- Citations: 22
MULLER EA, VEGA LF, GUBBINS KE, 1995, MOLECULAR SIMULATION AND THEORY OF ASSOCIATING CHAIN MOLECULES, 12th Symposium on Thermophysical Properties, Publisher: PLENUM PUBL CORP, Pages: 705-713, ISSN: 0195-928X
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- Citations: 20
Müller EA, Gubbins KE, Tsangaris DM, et al., 1995, Comment on the accuracy of Wertheim's theory of associating fluids, The Journal of Chemical Physics, Vol: 103, Pages: 3868-3869, ISSN: 0021-9606
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- Citations: 20
VEGA LF, MULLER EA, RULL LF, et al., 1995, MIXTURES OF ASSOCIATING AND NONASSOCIATING CHAINS ON ACTIVATED SURFACES - A MONTE-CARLO APPROACH, MOLECULAR SIMULATION, Vol: 15, Pages: 141-&, ISSN: 0892-7022
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- Citations: 12
MULLER EA, VEGA LF, GUBBINS KE, 1994, THEORY AND SIMULATION OF ASSOCIATING FLUIDS - LENNARD-JONES CHAINS WITH ASSOCIATION SITES, MOLECULAR PHYSICS, Vol: 83, Pages: 1209-1222, ISSN: 0026-8976
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- Citations: 39
JOHNSON JK, MULLER EA, GUBBINS KE, 1994, EQUATION OF STATE FOR LENNARD-JONES CHAINS, JOURNAL OF PHYSICAL CHEMISTRY, Vol: 98, Pages: 6413-6419, ISSN: 0022-3654
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- Citations: 229
KOH CA, MULLER EA, ZOLLWEG JA, et al., 1994, SPECTROSCOPIC DATA ON THE KINETICS OF HYDRATE FORMATION AND DECOMPOSITION, International Conference on Natural Gas Hydrates, Publisher: NEW YORK ACAD SCIENCES, Pages: 561-563, ISSN: 0077-8923
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- Citations: 3
MULLER EA, GUBBINS KE, 1993, SIMULATION OF HARD TRIATOMIC AND TETRATOMIC MOLECULES - A TEST OF ASSOCIATING FLUID THEORIES, MOLECULAR PHYSICS, Vol: 80, Pages: 957-976, ISSN: 0026-8976
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- Citations: 74
MULLER EA, GUBBINS KE, 1993, TRIPLET CORRELATION-FUNCTION FOR HARD-SPHERE SYSTEMS, MOLECULAR PHYSICS, Vol: 80, Pages: 91-101, ISSN: 0026-8976
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- Citations: 38
Colazo A V, daSilva F A, Muller E A, 1992, Joule-Thomson inversion curves and the supercritical cohesion parameters of cubic equations of state, Lat. Am. Applied Res., Vol: 22
Muller E A, Saez A E, 1992, Calculation of effective absolute permeabilities in cross-bedding stratified reservoirs, Lat. Am. Applied Res., Vol: 22
MULLER EA, RASMUSSEN P, 1991, DENSITIES AND EXCESS VOLUMES IN AQUEOUS POLY(ETHYLENE GLYCOL) SOLUTIONS, JOURNAL OF CHEMICAL AND ENGINEERING DATA, Vol: 36, Pages: 214-217, ISSN: 0021-9568
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- Citations: 136
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