| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 203759 | Fluid Phase Equilibria | 2007 | 4 Pages |
Abstract
Bubble pressure points of ethanol–1,1,1,2,3,3,3-heptafluoropropane (HFC-227ea refrigerant) mixtures from the third Industrial Fluid Properties Simulation Challenge are computed using publicly available molecular simulation software. Several published force fields are compared against the known answers provided in the contest guidelines and the best force fields are used to make predictions for the unknown results.
Related Topics
Physical Sciences and Engineering
Chemical Engineering
Chemical Engineering (General)
Authors
A. Özgür Yazaydın, Marcus G. Martin,