Accurate knowledge of the physical properties of complex chemical systems is of extreme importance
for the design and optimization of industrial processes. The unprecedented increase of computing power
in the last couple of decades, the development of efficient algorithms and methods, and advances in
molecular force fields have made molecular simulation a powerful tool in predicting such properties
very accurately, and often with very limited experimental information involved. Related to this,
molecular simulation can be used for the design of new materials with improved, often tailor-made,
properties compared to existing materials. In this lecture, a few representative examples from recent
work related to the oil & gas industry will be discussed.
| Identifer | oai:union.ndltd.org:DRESDEN/oai:qucosa:de:qucosa:38061 |
| Date | 30 January 2020 |
| Creators | Economou, Ioannis G., Krokidas, Panagiotis, Moncho, Salvador, Brothers, Edward N., Castier, Marcelo, Jeong, Hae-Kwon |
| Source Sets | Hochschulschriftenserver (HSSS) der SLUB Dresden |
| Language | English |
| Detected Language | English |
| Type | info:eu-repo/semantics/acceptedVersion, doc-type:article, info:eu-repo/semantics/article, doc-type:Text |
| Rights | info:eu-repo/semantics/openAccess |
| Relation | 12, urn:nbn:de:bsz:15-qucosa2-378382, qucosa:37838 |
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