To use all functions of this page, please activate cookies in your browser.
With an accout for my.chemeurope.com you can always see everything at a glance – and you can configure your own website and individual newsletter.
- My watch list
- My saved searches
- My saved topics
- My newsletter
1,043 Newest Publications about the topic computer simulationsrss
|You can refine your search further. Select from the filter options on the left to narrow down your results.|
05-Jul-2005 | F. Cuadros, I. Cachadiña, W. Ahumada, Molecular Engineering, 2005
For theoretical and chemical engineering applications, accurate and, if possible, simple models of molecular interactions are needed. We have recently proposed a new procedure for determining Lennard-Jones interaction parameters for fluids, forcing agreement between the values of the pressure ...
20-Jan-2005 | Hadass Eviatar, Uulke A. van der Heide, Yehudi K. Levine, Molecular Engineering, 2005
Computer simulations are presented of the behaviour of elongated probe molecules anchored to the interface of bilayers of dipalmitoylphosphatidylcholine (DPPC) above the phase transition of the hydrocarbon chains. The simulations mimic the behaviour of the fluorescent probe ...
03-Nov-2004 | M. Grujicic, S. G. Lai, Journal of Materials Synthesis and Processing, 2004
The evolution of grain size, grain-size distribution, morphological and crystallographic texture, surface roughness, and the contribution of various surface facets to the growth of polycrystalline diamond films is performed by carrying out a series of two-dimensional computer simulations. The ...