Imperial College London

Professor Erich A. Muller

Faculty of EngineeringDepartment of Chemical Engineering

Professor of Thermodynamics



+44 (0)20 7594 1569e.muller Website




Mrs Raluca Reynolds +44 (0)20 7594 5557




409ACE ExtensionSouth Kensington Campus





Research Interests

Our group uses molecular simulation techniques to study the thermophysical properties of complex fluids and interfaces which include (but are not restricted to):

  • Phase behaviour of petroleum reservoir fluids and asphaltenes
  • Adsorption of gases onto nanoporous carbons 
  • Non-equilibrium and transport properties of fluids, with particular application to membranes
  • Development of coarse grained intermolecular potentials from equations of state (SAFT) 
  • Self-assembly of macromolecules ( polymers, surfactants and liquid crystals)
  • Interfacial phanomena (tensions, contact angles and adsorption)

We have a strong focus on application to engineering problems for which we use high performance and parallel computing.

We are part of a larger focus area in the department which brings together a collaboration of theoreticians, modellers and experimentalists in thermodynamics

View an animated image of competing adsorption of methane (blue) and water (red) on nanoporous activated carbon

Selected Research Projects

  1. "Mesoscale (coarse-grain) modelling of asphaltene aggregation" download PDF
  2. "Separation of gaseous mixtures (perfluoroalkanes from air, olefins/parrafins, VOC''''s) by adsorption unto carbon pores" download PDF
  3. "Molecular simulation of reservoir fluids in porous media" download PDF
  4. "Volumetric properties of hard fluid mixtures, polymers and colloids" download PDF
  5. "Supercritical fluid extraction" download PDF

EPSRC grant EP/E016340/1 Molecular Systems Engineering: From generic tools to industrial applications

EPSRC grant  EP/D035171/1 Separation of alkane / alkene gaseous mixtures by adsorption unto microporous carbons

EPSRC grant EP/D503051/1 Fouling in heat exchangers of crude distillation units

Research Staff




Research Student Supervision

AGUILERA,B, M.Sc., Mesoscopic molecular modelling of asphaltenic systems

ALBO,S, M.Sc., Molecular dynamics studies of solid solubility in supercritical carbon dioxide

Alosilla,IZAL, Exxcess volumes in the system water/ethanol/1-propanol

Ariadna Gardi,OCAJST, Calculations of excess volumes using SAFT

CRANE,A, Ph.D.; Coarse graining models for complex fluids

CURBELO,S, M.Sc., Molecular simulation of binary multipolar systems using isotropic potentials

Correa,L, Calculation of properties in refrigeration cycles

FERTL,P, Molecular simulation of confined hydrocarbon mixtures

HERDES,C, M.Sc., Simulation of asphaltenic systems using simplified molecular models

Hung,F, M.Sc., Adsorption of methane and water vapour on activated carbons

Irma,PA, Interaction mechanisms for water based drilling additives

JOVER,J, Ph.D.; Molecular simulation of asphaltene containing systems

Juli,NCN, Evaluation of the Talu-Meunier theory for the description of water adsorption on activated carbons

Marly Hern ndez,PMAGQ, Production of decaffinated coffee

Mera,E, Molecular simulation of volumetric properties of difluoromethane

Mozzicato,P, A generalized correlation for the cohesion parameter of the van der Waals EOS

OZIGBO,P, M.Sc., Adsorption of perfluoroethane on carbon nanotubes

Palma,G, Program for the visualization of thermodynamic diagrams

QUINN,V, M.Sc., Molecular simulation of ethane-eicosane systems

SALIH,A, Ph.D., Molecular simulation of adsorption of CO2 on coal

SAMPAYO-HERNANDEZ,J, Ph.D., Determination of Interfacial tension of molecular systems with the test area method

Santiso,E, M.Sc., Prediction of emulsion properties and solid phases of polydisperse hard sphere systems

Silva,LBEAAD, Development of an interactive computational package for the prediction of thermodynamic properties

Varela,LMAE, Software development for calculation of psicrometric properties at high pressures

as,JSM, Development of an application for the calculation of VLE

gues,JPAVR, Excess volumes using a cubic equation of state