Polarizable Water Models from Mixed Computational and Empirical Optimization
✍ Scribed by Tröster, Philipp; Lorenzen, Konstantin; Schwörer, Magnus; Tavan, Paul
- Book ID
- 120938794
- Publisher
- American Chemical Society
- Year
- 2013
- Tongue
- English
- Weight
- 988 KB
- Volume
- 117
- Category
- Article
- ISSN
- 0022-3654
No coin nor oath required. For personal study only.
📜 SIMILAR VOLUMES
## Abstract The hydrate disappearance conditions (H − L~w~ − V → L~w~ − V transition) in the water–methane–water‐soluble hydrocarbon system were measured and modeled. The hydrocarbons in the experiments are tetrahydrofuran (THF), 1,3‐dioxolane and tetrahydropyran, and THF, 1,3‐dioxolane and acetone
The mononitration of toluene by mixed acid has been taken as a specific case of a heterogeneous reaction and a mathematical model that simultaneously takes into account mass transfer phenomena and chemical kinetics has been developed Further, the effect of phase inversion on the overall reaction rat