Thermodynamic Modeling of CO2 Gas Adsorption on Zeolite 4A

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Sarvi, Amin | 2013

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Type of Document: M.Sc. Thesis
Language: Farsi
Document No: 44993 (06)
University: Sharif University of Technology
Department: Chemical and Petroleum Engineering
Advisor(s): Ghotbi, Cyrus; Taghikhani, Vahid
Abstract:
This project simulates the absorption of carbon dioxide absorbent on 4A zeolite is carried out using Monte Carlo simulation. VBA is a programming language and software used. Grand Canonical simulations performed on a set of particles (Grand Canonical) intended to present new algorithms and computational simulations are presented. Density fluctuations in the algorithms used and the smallest value of less than 0.2 is considered. In the new method of modeling, simulation node cell packing and moving is done on a given node. Adsorption density results obtained from the simulation carried out shows that the adsorption process is the logical and reasonable. Also, the part of the validation of the simulation results was done and have been compared with the experimental results and RSQ was 0.815917713 which represents appropriate deviation
Keywords:
Adsorption Simulation ; Grand Canonical Ensemble ; Zeolite 4A ; Thermodynamic Modeling