Publications
216 results found
Avendano C, Lafitte T, Adjiman CS, et al., 2013, SAFT-γ Force Field for the Simulation of Molecular Fluids: 2. Coarse-Grained Models of Greenhouse Gases, Refrigerants, and Long Alkanes, JOURNAL OF PHYSICAL CHEMISTRY B, Vol: 117, Pages: 2717-2733, ISSN: 1520-6106
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- Citations: 116
Frentrup H, Muller EA, 2013, Confinement and adsorption of fluids in nanoporous materials from molecular dynamics simulations: Influence on membrane separation performance, Pages: 61-62
Frentrup H, Hart KE, Colina CM, et al., 2013, Direct simulations of molecular transport and permeation of gases in polymeric membrane materials for separation processes, Pages: 868-869
Lobanova O, Herdes C, Jackson G, et al., 2013, Development of a coarse-grained force field for aqueous non-ionic surfactant systems using a molecular based equation of state, Pages: 1133-1135
Rahman S, Braga C, Lobanova O, et al., 2013, The importance of intra-and inter-molecular interactions in the development of coarse-grained models for chain fluids using SAFT-γ mie in molecular simulations, Pages: 1131-1132
Jover J, Haslam AJ, Galindo A, et al., 2012, Pseudo hard-sphere potential for use in continuous molecular-dynamics simulation of spherical and chain molecules, JOURNAL OF CHEMICAL PHYSICS, Vol: 137, ISSN: 0021-9606
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- Citations: 80
Müller EA, 2012, What carnot's father taught his son about thermodynamics, Chemical Engineering Education, Vol: 46, Pages: 165-170, ISSN: 0009-2479
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- Citations: 1
Kumar KV, Mueller EA, Rodriguez-Reinoso F, 2012, Effect of Pore Morphology on the Adsorption of Methane/Hydrogen Mixtures on Carbon Micropores, JOURNAL OF PHYSICAL CHEMISTRY C, Vol: 116, Pages: 11820-11829, ISSN: 1932-7447
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- Citations: 54
Horsch M, Hasse H, Shchekin AK, et al., 2012, Excess equimolar radius of liquid drops, PHYSICAL REVIEW E, Vol: 85, ISSN: 1539-3755
Klein MFG, Pfaff M, Mueller E, et al., 2012, Poly(3-hexylselenophene) solar cells: Correlating the optoelectronic device performance and nanomorphology imaged by low-energy scanning Transmission electron microscopy, JOURNAL OF POLYMER SCIENCE PART B-POLYMER PHYSICS, Vol: 50, Pages: 198-206, ISSN: 0887-6266
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- Citations: 28
Frentrup H, Avendao C, Horsch M, et al., 2012, Modelling Fluid Flow in Nanoporous Membrane Materials via Non–equilibrium Molecular Dynamics, Procedia Engineering, Vol: 44, Pages: 383-385, ISSN: 1877-7058
Lafitte T, Avendano C, Papaioannou V, et al., 2012, SAFT-gamma force field for the simulation of molecular fluids: 3. Coarse-grained models of benzene and hetero-group models of n-decylbenzene, MOLECULAR PHYSICS, Vol: 110, Pages: 1189-1203, ISSN: 0026-8976
Wu L, Wensink HH, Jackson G, et al., 2012, A generic equation of state for liquid crystalline phases of hard-oblate particles, MOLECULAR PHYSICS, Vol: 110, Pages: 1269-1288, ISSN: 0026-8976
Frentrup H, Avendano C, Horsch M, et al., 2012, Transport diffusivities of fluids in nanopores by non-equilibrium molecular dynamics simulation, MOLECULAR SIMULATION, Vol: 38, Pages: 540-553, ISSN: 0892-7022
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- Citations: 51
Mueller EA, Mejia A, 2011, Comparison of United-Atom Potentials for the Simulation of Vapor-Liquid Equilibria and Interfacial Properties of Long-Chain <i>n</i>-Alkanes up to <i>n</i>-C<sub>100</sub>, JOURNAL OF PHYSICAL CHEMISTRY B, Vol: 115, Pages: 12822-12834, ISSN: 1520-6106
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- Citations: 44
Schmidt-Hansberg B, Sanyal M, Klein MFG, et al., 2011, Moving through the Phase Diagram: Morphology Formation in Solution Cast Polymer-Fullerene Blend Films for Organic Solar Cells, ACS NANO, Vol: 5, Pages: 8579-8590, ISSN: 1936-0851
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- Citations: 149
Avendano C, Lafitte T, Galindo A, et al., 2011, SAFT-γ Force Field for the Simulation of Molecular Fluids. 1. A Single-Site Coarse Grained Model of Carbon Dioxide, JOURNAL OF PHYSICAL CHEMISTRY B, Vol: 115, Pages: 11154-11169, ISSN: 1520-6106
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- Citations: 178
Artola P-A, Pereira FE, Adjiman CS, et al., 2011, Understanding the fluid phase behaviour of crude oil: Asphaltene precipitation, FLUID PHASE EQUILIBRIA, Vol: 306, Pages: 129-136, ISSN: 0378-3812
Cavalcante CL, Mueller EA, Kaneko K, et al., 2011, Jorge (Giorgio) Zgrablich, ADSORPTION SCIENCE & TECHNOLOGY, Vol: 29, Pages: 423-424, ISSN: 0263-6174
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- Citations: 1
Crane AJ, Mueller EA, 2011, Self-Assembly of T-Shaped Polyphilic Molecules in Solvent Mixtures, JOURNAL OF PHYSICAL CHEMISTRY B, Vol: 115, Pages: 4592-4605, ISSN: 1520-6106
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- Citations: 7
Macchietto S, Hewitt GF, Coletti F, et al., 2011, Fouling in Crude Oil Preheat Trains: A Systematic Solution to an Old Problem, HEAT TRANSFER ENGINEERING, Vol: 32, Pages: 197-215, ISSN: 0145-7632
Kumar KV, Salih A, Lu L, et al., 2011, Molecular Simulation of Hydrogen Physisorption and Chemisorption in Nanoporous Carbon Structures, ADSORPTION SCIENCE & TECHNOLOGY, Vol: 29, Pages: 799-817, ISSN: 0263-6174
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- Citations: 30
Crane AJ, Mueller EA, 2011, Global phase behaviour of polyphilic tapered dendrons, SOFT MATTER, Vol: 7, Pages: 7465-7476, ISSN: 1744-683X
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- Citations: 1
Cruz FJAL, Mueller EA, Mota JPB, 2011, The role of the intermolecular potential on the dynamics of ethylene confined in cylindrical nanopores, RSC ADVANCES, Vol: 1, Pages: 270-281, ISSN: 2046-2069
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- Citations: 9
Avendano C, Mueller EA, 2011, Liquid crystalline behavior of a coarse-grained model of shape-persistent macrocycles with flexible attractive chains, SOFT MATTER, Vol: 7, Pages: 1694-1701, ISSN: 1744-683X
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- Citations: 11
Sampayo JG, Blas FJ, de Miguel E, et al., 2010, 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, JOURNAL OF CHEMICAL AND ENGINEERING DATA, Vol: 55, Pages: 4306-4314, ISSN: 0021-9568
Sampayo JG, Malijevsky A, Mueller EA, et al., 2010, Communications: Evidence for the role of fluctuations in the thermodynamics of nanoscale drops and the implications in computations of the surface tension, JOURNAL OF CHEMICAL PHYSICS, Vol: 132, ISSN: 0021-9606
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- Citations: 72
Cruz FJAL, Esteves IAAC, Mota JPB, et al., 2010, A Molecular Simulation Study of Propane and Propylene Adsorption onto Single-Walled Carbon Nanotube Bundles, 2nd International Conference on Advanced Nano Materials, Publisher: AMER SCIENTIFIC PUBLISHERS, Pages: 2537-2546, ISSN: 1533-4880
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- Citations: 9
Park C-D, Mileham M, van de Burgt LJ, et al., 2010, The Effects of Stoichiometry and Sample Density on Combustion Dynamics and Initiation Energy of Al/Fe<sub>2</sub>O<sub>3</sub> Metastable Interstitial Composites, JOURNAL OF PHYSICAL CHEMISTRY C, Vol: 114, Pages: 2814-2820, ISSN: 1932-7447
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- Citations: 19
Müller E, 2010, Adsorption Science and Technology: Editorial, Adsorption Science and Technology, Vol: 28, ISSN: 0263-6174
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- Citations: 1
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