검색결과 : 7건
| No. | Article |
|---|---|
| 1 |
SkaSim - Scalable HPC Software for Molecular Simulation in the Chemical Industry Vrabec J, Bernreuther M, Bungartz HJ, Chen WL, Cordes W, Fingerhut R, Glass CW, Gmehling J, Hamburger R, Heilig M, Heinen M, Horsch MT, Hsieh CM, Hulsmann M, Jager P, Klein P, Knauer S, Koddermann T, Koster A, Langenbach K, Lin ST, Neumann P, Rarey J, Reith D, Rutkai G, Schappals M, Schenk M, Schedemann A, Schonherr M, Seckler S, Stephan S, Stobener K, Tchipev N, Wafai A, Werth S, Hasse H Chemie Ingenieur Technik, 90(3), 295, 2018 |
| 2 |
Prediction of CO2 and H2S solubility and enthalpy of absorption in reacting N-methyldiethanolamine/water systems with ePC-SAFT Wangler A, Sieder G, Ingram T, Heilig M, Held C Fluid Phase Equilibria, 461, 15, 2018 |
| 3 |
A molecular mechanism for choosing alcohol over an alternative reward Augier E, Barbier E, Dulman RS, Licheri V, Augier G, Domi E, Barchiesi R, Farris S, Natt D, Mayfield RD, Adermark L, Heilig M Science, 360(6395), 1321, 2018 |
| 4 |
Interfacial and bulk properties of vapor-liquid equilibria in the system toluene plus hydrogen chloride plus carbon dioxide by molecular simulation and density gradient theory plus PC-SAFT Werth S, Kohns M, Langenbach K, Heilig M, Horsch M, Hasse H Fluid Phase Equilibria, 427, 219, 2016 |
| 5 |
Reducing the amount of PCP-SAFT fitting parameters. 2. Associating components Albers K, Heilig M, Sadowski G Fluid Phase Equilibria, 326, 31, 2012 |
| 6 |
Molecular Modeling and Simulation of Vapor-Liquid Equilibria of Ethylene Oxide, Ethylene Glycol, and Water as Well as their Binary Mixtures Huang YL, Merker T, Heilig M, Hasse H, Vrabec J Industrial & Engineering Chemistry Research, 51(21), 7428, 2012 |
| 7 |
Vapor-Liquid Equilibria of Hydrogen Chloride, Phosgene, Benzene, Chlorobenzene, Ortho-Dichlorobenzene, and Toluene by Molecular Simulation Huang YL, Heilig M, Hasse H, Vrabec J AIChE Journal, 57(4), 1043, 2011 |