Equilibrium and Transport Properties of Primary, Secondary and Tertiary Amines by Molecular Simulation
Using molecular simulation techniques such as Monte Carlo (MC) and molecular dynamics (MD), we present several simulation results of thermodynamic and transport properties for primary, secondary and tertiary amines. These calculations are based on a recently proposed force field for amines that...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
EDP Sciences
2014-09-01
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| Series: | Oil & Gas Science and Technology |
| Online Access: | http://dx.doi.org/10.2516/ogst/2013144 |