Muller, Erich - Imperial College London - Department of Chemical Engineering

个人简介

2012- Professor of Thermodynamics, Department of Chemical Engineering, Imperial College London 2005-2012 Reader in Thermodynamics, Department of Chemical Engineering, Imperial College London. 2002-2004 Head of Department, Departamento de Termodinámica, Universidad Simón Bolívar, (Venezuela). 1987-2004 Profesor Titular, Departamento de Termodinámica, Universidad Simón Bolívar, (Venezuela). 1996-2000 Director of UG and PG studies, Universidad Simón Bolívar, (Venezuela). 1995 Ph.D. in Chemical Engineering, Cornell University (USA), Thesis title: "Molecular simulation of homogeneous and inhomogeneous associating fluids". 1986 M.Sc. in Chemical Engineering (honor mention) , Universidad Simón Bolívar, (Venezuela). 1985 Chemical Engineer, (cum laude) Universidad Simón Bolívar, (Venezuela).

研究领域

Molecular simulation of complex fluids (liquid crystals, asphaltenes, polymers, etc.) adsorption and interfacial phenomena (activated carbons, nanotubes, colloids). Phase equilibria and thermophysical properties (VLE, supercritical fluids, etc.) bridging size scales from atomistic simulations to equation of state modelling (SAFT). Focus on application to engineering and environmental problems and high performance computing for engineering.

近期论文

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Muller EA, mostofi A, Sutton A, Muscatello Jet al., Multiscale molecular simulations of the formation and structure of polyamide membranes created by interfacial polymerization, Journal of Membrane Science, ISSN: 1873-3123 Sutton AP, Muller EA, Mostofi AA, Muscatello Jet al., Multiscale molecular simulations of the formation and structure of polyamide membranes created by interfacial polymerization, Journal of Membrane Science Avendano C, Jackson G, Muller EA, Escobedo FAet al., 2016, Assembly of porous smectic structures formed from interlocking high-symmetry planar nanorings, PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, Vol: 113, Pages: 9699-9703, ISSN: 0027-8424 Braga C, Muscatello J, Lau G, Mueller EA, Jackson Get al., 2016, Nonequilibrium study of the intrinsic free-energy profile across a liquid-vapour interface, JOURNAL OF CHEMICAL PHYSICS, Vol: 144, ISSN: 0021-9606 Ervik A, Lysgaard MO, Herdes C, Jimenez-Serratos G, Mueller EA, Munkejord ST, Mueller Bet al., 2016, A multiscale method for simulating fluid interfaces covered with large molecules such as asphaltenes, JOURNAL OF COMPUTATIONAL PHYSICS, Vol: 327, Pages: 576-611, ISSN: 0021-9991 Ervik A, Mejia A, Muller EA, 2016, Bottled SAFT: A Web App Providing SAFT-gamma Mie Force Field Parameters for Thousands of Molecular Fluids, JOURNAL OF CHEMICAL INFORMATION AND MODELING, Vol: 56, Pages: 1609-1614, ISSN: 1549-9596 Herdes C, Forte E, Jackson G, Mueller EAet al., 2016, Predicting the adsorption of n-perfluorohexane in BAM-P109 standard activated carbon by molecular simulation using SAFT-gamma Mie coarse-grained force fields, ADSORPTION SCIENCE & TECHNOLOGY, Vol: 34, Pages: 64-78, ISSN: 0263-6174 Lobanova O, Mejia A, Jackson G, Mueller EAet al., 2016, SAFT-gamma force field for the simulation of molecular fluids 6: Binary and ternary mixtures comprising water, carbon dioxide, and n-alkanes, JOURNAL OF CHEMICAL THERMODYNAMICS, Vol: 93, Pages: 320-336, ISSN: 0021-9614 Matias Garrido J, Mejia A, Pineiro MM, Blas FJ, Mueller EAet al., 2016, Interfacial Tensions of Industrial Fluids from a Molecular-Based Square Gradient Theory, AICHE JOURNAL, Vol: 62, Pages: 1781-1794, ISSN: 0001-1541 Morgado P, Lobanova O, Müller EA, Jackson G, Almeida M, Filipe EJMet al., 2016, 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, Molecular Physics, Pages: 1-18, ISSN: 0026-8976 Muscatello J, Jaeger F, Matar OK, Mueller EAet al., 2016, Optimizing Water Transport through Graphene-Based Membranes: Insights from Nonequilibrium Molecular Dynamics, ACS APPLIED MATERIALS & INTERFACES, Vol: 8, Pages: 12330-12336, ISSN: 1944-8244 Oyewunmi OA, Kirmse CJW, Haslam AJ, Müller EA, Markides CNet al., 2016, Working-fluid selection and performance investigation of a two-phase single-reciprocating-piston heat-conversion engine, Applied Energy, ISSN: 0306-2619 Frentrup H, Hart KE, Colina CM, Müller EAet al., 2015, In Silico Determination of Gas Permeabilities by Non-Equilibrium Molecular Dynamics: CO2 and He through PIM-1., Membranes, Vol: 5, Pages: 99-119, ISSN: 2077-0375 Herdes C, Santiso EE, James C, Eastoe J, Mueller EAet al., 2015, Modelling the interfacial behaviour of dilute light-switching surfactant solutions, JOURNAL OF COLLOID AND INTERFACE SCIENCE, Vol: 445, Pages: 16-23, ISSN: 0021-9797 Herdes C, Totton TS, Mueller EA, 2015, Coarse grained force field for the molecular simulation of natural gases and condensates, FLUID PHASE EQUILIBRIA, Vol: 406, Pages: 91-100, ISSN: 0378-3812 Jover J, Galindo A, Jackson G, Mueller EA, Haslam AJet al., 2015, Fluid-fluid coexistence in an athermal colloid-polymer mixture: thermodynamic perturbation theory and continuum molecular-dynamics simulation, MOLECULAR PHYSICS, Vol: 113, Pages: 2608-2628, ISSN: 0026-8976 Jover JF, Mueller EA, Haslam AJ, Galindo A, Jackson G, Toulhoat H, Nieto-Draghi Cet al., 2015, Aspects of Asphaltene Aggregation Obtained from Coarse-Grained Molecular Modeling, ENERGY & FUELS, Vol: 29, Pages: 556-566, ISSN: 0887-0624 Lau GV, Ford IJ, Hunt PA, Muller EA, Jackson Get al., 2015, Surface thermodynamics of planar, cylindrical, and spherical vapour-liquid interfaces of water, Journal of Chemical Physics, Vol: 142, ISSN: 1089-7690 Lau GV, Hunt PA, Mueller EA, Jackson G, Ford IJet al., 2015, Water droplet excess free energy determined by cluster mitosis using guided molecular dynamics, JOURNAL OF CHEMICAL PHYSICS, Vol: 143, ISSN: 0021-9606