OUR RESEARCH
In June 2007, we launched a £4.3M research programme in Molecular Systems Engineering at Imperial College London funded by the EPSRC and industrial partners to tackle process and product design problems where molecular level information plays a pivotal role. Our activity involves the intelligent molecular design of materials for engineering applications. The research combines a fundamental physical understanding, mathematical models and numerical methods into new techniques and tools for the design of better products and processes. The emphasis is on integration of models across different scales so that molecular-level fluid phase equilibria models can be used at the larger scale of products and processes.
Our Timeline
November 2018
Prof. Amparo Galindo has been awarded a prestigious Lilly/RAEng Chair in Pharmaceutical Molecular Systems.
8th October 2018
Welcome to our new team members :
Mohamad Muhieddin,
Yizu Zhang
Husain Baaqel
Emma Richards
Michele Valsecchi
Matthias Kiesel
Fabian Thiemann
Kezheng Zu
.
4th October 2018
Sara Shahruddin defended her PhD thesis
"Synthesis and Computer Simulation of Additives for Wax Inhibition in Crude Oils"
7th September 2018
Mini Symposium on Liquid Crystals and Self Organisation
Download the programme here
.
Download
3rd July 2018
Frederike (Fred) Jaeger defended her PhD thesis "Molecular modelling and simulation of fluid flow under confinement at the nanoscale"
Summer 2018
Our brand new website is online ( and many things now require fixing...) Thanks to the hard work of Joy Cowper from Chem Eng Warwick
email
26th February 2018
A team led by Prof. Øivind Wilhelmsen, Dr. Morten Hammer and Mr. Ailio Aasen from NTNU & SINTEF have arrived to develop SAFT EoS and forcefields for Quantum Fluids.
29th November 2017
5th June 2017
A new paper by Dr. Jiménez-Serratos (Lupe) showcases coarse-grained molecular simulations of polystyrene melts and polystyrene solutions in alkanes using the SAFT force field.
29th November 2016
A PhD student from the MSE group, Panatpong (Obb) Hutacharoen, has been awarded the Anglo-Thai Educational Award for Excellence in Engineering and Technology. The award is for Thai students in the final stages of their PhD research in UK.
13th November 2016
An MSE team led by Prof. Erich A. Müller has won the 9th Industrial Fluid Properties Simulation Challenge, surpassing the best simulation teams in USA, Europe and China. The winners were announced in a special session at this year's AIChE Meeting. Details of the competition can be found in this
link and on the college news brief here:
23rd June 2016
The Institute for Molecular Science and Engineering (IMSE) has launched and we are proud to be a part of it. The new MRes in Molecular Science and Engineering is now open and accepting applications:
30th August 2016
A new paper in PNAS co-authored by Prof. Jackson and Prof. Müller describes the self-assembly of unique high porosity liquid crystal phases from ring-like molecules.
15th June 2016
Nina Ramrattan's recent paper " A Corresponding-States framework for the description of the Mie family of intermolecular potentials" has won her the 2015 Molecular Physics Early Career Researcher
Prize
.
10th March 2016
Congratulations to Prof. Costas Pantelides for being awarded 2015 IChemE medals! (Sargent Medal) along with Prof. Roger Sargent, the leading minds in process systems engineering (awarded MM Sharma Medal). The Medal is awarded to Prof. Costas for his pioneering work in advanced process modelling technologies and solution methods for large-scale simulation and optimisation problems:
25th April 2016
Prof. Erich Muller delivered the first BP-ICAM webinar of the year on the topic of the molecular simulation of fluids.
15th December 2015
Bottled SAFT is now online. This tool allows you to obtain SAFT-Mie coarse grained parameters for homonuclear models for over 6000 different chemical compounds at a click of a button.
4th October 2015
A new paper focused on development of CO2 capture processes is now online: see Burger at al "A hierarchical method to integrated solvent and process design of physical CO2 absorption using the SAFT-γ Mie approach" AIChE J.
15th October 2015
Dr. Carmelo Herdes has been recently appointed lecturer at the Chemical Engineering Departmentat Bath University. Congratulations!
23rd September 2015
Congratulations to Prof. Claire Adjiman for having been elected Fellow of the Royal
Academy
of Engineering. This is a great honour - the Fellowship “represents the nation’s best engineering researchers, innovators, entrepreneurs, business and industry leaders “.
20th July 2015
Coarse graining for Oil & Gas fluids? Yes we can! Here is a link for the most recent paper " Coarse grained force field for the molecular simulation of natural gases and condensates" on the use of the SAFT force field for the petroleum industry.
20th March 2015
Researchers from Notre Dame, UFRJ and PETROBRAS show that coarse grained molecular simulations using SAFT force fields for methane and CO2 are more accurate than common equations of state such as PR and as good as the best atomistic models available.
2nd March 2015
Congratulations to Prof. George Jackson for winning the 2015
Guggenheim Medal
of the IChemE for his outstanding work in the field of Thermodynamics and complex fluids.
George also delivered the inaugural Guggenheim lecture at the Thermodynamics 2015 meeting where the MSE group contributed in 14 other posters & presentations.
George also delivered the inaugural Guggenheim lecture at the Thermodynamics 2015 meeting where the MSE group contributed in 14 other posters & presentations.
20th August 2014
Esther Forte's paper is featured in the back cover of PCCP.
20th August 2014
Download here a review paper on the use of SAFT for coarse grained simulations.
20th August 2014
Watch a beautiful video of a micelle separating from an air-water interface.
December 2013
The prehistory:
The first grant formalising the formation of our molecular systems engineering (
MSE
) area finished in 2013. Since then over £50M research money has been secured by the group.
October 2007
The MSE Group was founded.
The MSE team is hosted in the Centre for Process Systems Engineering (
CPSE
) in the
Department
of Chemical Engineering at
Imperial
College London. We have strong links with the Institute of Molecular Science and Engineering (
IMSE
) and with its affiliated Master of Research in Molecular Science and Engineering (
M.Res.
). Directions for travel to the area are given
here
.
CONTACT INFORMATION
ADDRESS
Imperial College London
Department of Chemical Engineering
South Kensington Campus
SW7 2AZ - U.K.
SW7 2AZ - U.K.
e.muller@imperial.ac.uk
+44 (0)20 7594 1569
CAMPUS CORE HOURS
Monday-Friday
9:00- 18:00