Summary
Biography
| Date | Role |
|---|---|
| 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). |
Research Interests
- 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 problems employing high performance computing and Machine Learning.
Links
Selected Publications
Journal Articles
Mueller EA, Jackson G, 2014, Force-field parameters from the SAFT-gamma equation of state for use in coarse-grained molecular simulations, Annual Review of Chemical and Biomolecular Engineering, Vol:5, ISSN:1947-5438, Pages:405-427
Mueller EA, Mejia A, 2014, Resolving Discrepancies in the Measurements of the Interfacial Tension for the CO2 + H2O Mixture by Computer Simulation, Journal of Physical Chemistry Letters, Vol:5, ISSN:1948-7185, Pages:1267-1271
Mejia A, Herdes C, Mueller EA, 2014, Force Fields for Coarse-Grained Molecular Simulations from a Corresponding States Correlation, Industrial & Engineering Chemistry Research, Vol:53, ISSN:0888-5885, Pages:4131-4141
Forte E, Haslam AJ, Jackson G, et al., 2014, Effective coarse-grained solid-fluid potentials and their application to model adsorption of fluids on heterogeneous surfaces, Physical Chemistry Chemical Physics, Vol:16, ISSN:1463-9076, Pages:19165-19180
Mueller EA, 2013, Purification of water through nanoporous carbon membranes: a molecular simulation viewpoint, Current Opinion in Chemical Engineering, Vol:2, ISSN:2211-3398, Pages:223-228
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
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, ISSN:0892-7022, Pages:540-553
Mueller EA, Mejia A, 2011, Comparison of United-Atom Potentials for the Simulation of Vapor-Liquid Equilibria and Interfacial Properties of Long-Chain n-Alkanes up to n-C-100, Journal of Physical Chemistry B, Vol:115, ISSN:1520-6106, Pages:12822-12834
Avendano C, Lafitte T, Galindo A, et al., 2011, SAFT-gamma 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, ISSN:1520-6106, Pages:11154-11169
Crane AJ, Mueller EA, 2011, Self-Assembly of T-Shaped Polyphilic Molecules in Solvent Mixtures, Journal of Physical Chemistry B, Vol:115, ISSN:1520-6106, Pages:4592-4605
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, ISSN:1744-683X, Pages:1694-1701
Esteves IAAC, Cruz FJAL, Mueller EA, et al., 2009, Determination of the surface area and porosity of carbon nanotube bundles from a Langmuirian analysis of sub- and supercritical adsorption data, Carbon, Vol:47, ISSN:0008-6223, Pages:948-956
Crane AJ, Martinez-Veracoechea FJ, Escobedo FA, et al., 2008, Molecular dynamics simulation of the mesophase behaviour of a model bolaamphiphilic liquid crystal with a lateral flexible chain, Soft Matter, Vol:4, ISSN:1744-683X, Pages:1820-1829
Rull LF, Romero-Enrique JM, Mueller EA, 2007, Observation of surface nematization at the solid-liquid crystal interface via molecular simulation, Journal of Physical Chemistry C, Vol:111, ISSN:1932-7447, Pages:15998-16005
Carnahan NF, Muller EA, 2006, Shape factors in equations of state. Part II. Repulsion phenomena in multicomponent chain fluids, Physical Chemistry Chemical Physics, Vol:8, ISSN:1463-9076, Pages:2619-2623
Aguilera-Mercado B, Herdes C, Murgich J, et al., 2006, Mesoscopic simulation of aggregation of asphaltene and resin molecules in crude oils, Energy & Fuels, Vol:20, ISSN:0887-0624, Pages:327-338
Muller EA, 2005, Adsorption of super greenhouse gases on microporous carbons, Environmental Science & Technology, Vol:39, ISSN:0013-936X, Pages:8736-8741
Martinez-Veracoechea F, Muller EA, 2005, Temperature-quench molecular dynamics simulations for fluid phase equilibria, Molecular Simulation, Vol:31, ISSN:0892-7022, Pages:33-43
Muller EA, Gelb LD, 2003, Molecular modeling of fluid-phase equilibria using an isotropic multipolar potential, Industrial & Engineering Chemistry Research, Vol:42, ISSN:0888-5885, Pages:4123-4131
Albo S, Muller EA, 2003, On the calculation of supercritical fluid-solid equilibria by molecular simulation, Journal of Physical Chemistry B, Vol:107, ISSN:1520-6106, Pages:1672-1678
Gelb LD, Muller EA, 2002, Location of phase equilibria by temperature-quench molecular dynamics simulations, Fluid Phase Equilibria, Vol:203, ISSN:0378-3812, Pages:1-14
Santiso E, Muller EA, 2002, Dense packing of binary and polydisperse hard spheres, Molecular Physics, Vol:100, ISSN:0026-8976, Pages:2461-2469
Muller EA, Gubbins KE, 2001, Molecular-based equations of state for associating fluids: A review of SAFT and related approaches, Industrial & Engineering Chemistry Research, Vol:40, ISSN:0888-5885, Pages:2193-2211