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Molecular Simulation of Vapor–Liquid Equilibria Using the Wolf Method for Electrostatic Interactions

[Image: see text] The applicability of the Wolf method for calculating electrostatic interactions is verified for simulating vapor–liquid equilibria of hydrogen sulfide, methanol, and carbon dioxide. Densities, chemical potentials, and critical properties are obtained with Monte Carlo simulations us...

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Xehetasun bibliografikoak
Argitaratua izan da:J Chem Eng Data
Egile Nagusiak: Hens, Remco, Vlugt, Thijs J. H.
Formatua: Artigo
Hizkuntza:Inglês
Argitaratua: American Chemical Society 2017
Sarrera elektronikoa:https://ncbi.nlm.nih.gov/pmc/articles/PMC6150682/
https://ncbi.nlm.nih.gov/pubmed/30258248
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jced.7b00839
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