Hot Papers
A full list of my publications can be found here. However, in this page I placed comments and links to some of the most cited, most popular and the hardest-to-get papers. If there are any you can not access, please feel free to email me (e.muller "at" imperial.ac.uk ).
SAFT
This is a very cited review paper which accounts for most of the pre - 2001 activity within the development of Statistical Associating Fluid Theory (SAFT)
- “Molecular-based equations of state for associating fluids: a review of SAFT and related approaches”, E.A. Müller and K.E.Gubbins, Ind. Eng. Chem. Res., 40, 2193 (2001) pdf
Here is the paper on the radial distribution function of the LJ fluid and the first SAFT equation of state for LJ fluids, (which later was coined as soft-SAFT by another group). That same year Walter Chapman (now at Rice) also had made some progress on the LJ-SAFT and even used it for mixtures. His paper was published in AIChE Journal and also largely ignored. Funny.
- “Equation of state for Lennard-Jones chains”, J.K. Johnson, E.A. Müller and K.E.Gubbins, J. Phys. Chem. Res., 98, 6413 (1994) pdf
Self assembling fluids
I am very excited about the possibilities that this research line opens up. We are one of the first groups that have been able to document the self-association of complex liquid crystals starting from an isotropic phase. A movie is available here.
- “Molecular dynamics simulations of the mesophase behaviour of a model bolaamphiphilic liquid crystal with a lateral flexible chain ”, A.J. Crane, F. Martinez-Veracoechea, F.A. Escobedo and E.A. Müller , Soft Matter, 4, 1820 (2008) pdf
- “Global Phase Behaviour of Polyphilic Tapered Dendrons” A. J. Crane and E. A. Müller Soft Matter 7, 7465 (2011)
Water filtration / purification using carbon and graphene membranes
Can one use a membrane which is thousands of times thinner than a hair to filter water? I have no doubt this is possible. Our work with adsorption and diffusion on carbons gives us a nice insight on this. This is a nice ( silent) movie that shows the mechanisms for one molecules crossing a atom-thin membrane of grapheme. movie
- “Müller, E. A. (2013). Purification of water through nanoporous carbon membranes: a molecular simulation viewpoint. Current Opinion in Chemical Engineering, 2(2), 223–228. doi:10.1016/j.coche.2013.02.004 pdf
Human Thermodynamics
I am surprised, humored and happy that this paper has been so well received.
- "Human Societies: A curious application of thermodynamics”, E.A. Müller, Chem. Eng. Education, 34, summer, 230 (1998) pdf
Hard Spheres
For most of the interesting hard sphere papers I suggest you go visit the sister webpage on the topic.
Adsorption on Nanotubes and carbon nanopores
We have a long-standing research stream focused on understanding equilibrium (adsorption) and non-equilibrium (diffusion) of fluids in carbon nanotubes. For example, this movie shows the spiral path taken by ethane molecules within nanotubes. It is all explained in these two papers:
"Behavior of ethylene and ethane within single walled nanotubes”, F.J.A.L. Cruz and E.A. Müller, Adsorption, 15, 1-13 and 13-22 (2009)
I have also written a review chapter on the topic:
“Molecular Simulation of adsorption in nanotubes” E. A. Müller in “Adsorption and Phase Behaviour in Nanochannels and Nanotubes” edited by L. Dunne and G. Manos, Springer (2009) pdf
One of the "difficult" papers to access:
“Modelling of Ethane/Ethylene Separation Using Microporous Carbon” S. Curbelo and E. A. Müller, Adsorption Science & Technology, 23, 855-865 (2005) pdf
Death of the steam tables
As soon as I started to use my iPhone and saw how easy on-line life is with it, I also realized how dead the steam tables are. There is a debate to that though, and you might want to read this editorial " Are the steam tables dead? " E.A. Müller, Chem. Eng. Education, 43, spring, 1 (2009) pdf
Dad knows best
It is very interesting to note howgreat ideas are either recycled, adapted and sometimes appear by serendipity. The second law of thermodynamics, most possibly one of the great laws of nature, seems to come from a simple waterwheel. " What Carnot's father taught his son about thermodynamics" explores the ansatz that the father of Thermodynamics actually got his ideas from the work of his father. see " E.A. Müller, Chem. Eng. Education, 46, summer, 165 (2009) pdf
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