TY - JOUR ID - 57856 TI - A Molecular Simulation of Natural Gas Dehydration by 3A Zeolite Nanostructure JO - Iranian Journal of Oil and Gas Science and Technology JA - IJOGST LA - en SN - 2345-2412 AU - Bayati, behrouz AU - Rahmati, Mahmoud AD - Assistant Professor, Chemical Engineering Department, Faculty of Engineering, Ilam University, P.O. Box 69315/516, Ilam, Iran AD - 2Assistant Professor, Department of Chemical Engineering, Graduate University of Advanced Technology, Kerman, Iran Y1 - 2017 PY - 2017 VL - 6 IS - 3 SP - 68 EP - 78 KW - Molecular Simulation KW - dehydration KW - 3A Zeolite KW - Mercaptan KW - Adsorption DO - 10.22050/ijogst.2018.57856 N2 - The adsorption and separation properties of 3A zeolite are investigated by using Grand Canonical Monte Carlo (GCMC) simulation. To obtain the adsorption isotherms of water, methyl mercaptan, and methane on 3A zeolite, COMPASS Force Filed is used. The adsorption isotherms of the pure components and the ternary mixtures of water, methyl mercaptan, and methane on 3A zeolites are calculated. The Sips Model is taken into account for the description of water adsorption on 3A zeolite. In addition, the effects of pressure and temperature on the adsorption of components are examined. The results demonstrate that the water has high adsorption selectivity on 3A zeolite, and this kind of adsorbent is a good candidate for the dehydration of natural gas. UR - https://ijogst.put.ac.ir/article_57856.html L1 - https://ijogst.put.ac.ir/article_57856_b6d7d7bbfad3bebadce670e31803397c.pdf ER -