Open Access1-Bromopropane Capture with Hydrophobic Zeolites: Force Field Development and Molecular Simulations
Author(s) -
A. Özgür Yazaydın
Publication year - 2022
Publication title -
the journal of physical chemistry c
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.401
H-Index - 289
eISSN - 1932-7455
pISSN - 1932-7447
DOI - 10.1021/acs.jpcc.2c00086
Subject(s) - monte carlo method , adsorption , zeolite , materials science , solvent , canonical ensemble , force field (fiction) , porosity , grand canonical ensemble , chemical engineering , condensation , chemistry , organic chemistry , thermodynamics , composite material , catalysis , computer science , engineering , physics , mathematics , artificial intelligence , statistics
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