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Grand Canonical Monte Carlo Simulation For Organic and Inorganic Compound On Carbon Black and Activated Carbon

Mohamed Ramli, Nasser (2003) Grand Canonical Monte Carlo Simulation For Organic and Inorganic Compound On Carbon Black and Activated Carbon. Masters thesis, Universiti Teknologi Petronas.

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The Grand Canonical Monte Carlo (GCMC) simulation is a powerful method for studying physical interaction of a molecule with a carbon black. The GCMC simulation provides significant information on the fundamental mechanism of physical adsorption with a relevance to adsorption experiment. We must use appropriate Lennard Jones parameter in the Monte Carlo simulation. In this work we simulate the adsorption isotherm on carbon black for 29 substances. Computer simulation of the isotherm of adsorption is important for theoretical studies and practical applications. The GCMC molecular simulation is powerful tool for studying adsorption on carbon black. The simulation have not only provide significant information on the physical adsorption but can be used to extract useful information from experimental data. The quality of the results depends upon the accuracy of the parameters been used in the simulation and the relevance to the adsorption.

Item Type: Thesis (Masters)
Academic Subject : Academic Department - Petroleum Geosciences - Petroleum Engineering - Modelling and simulation - Complex reservoir simulation
Subject: Q Science > QE Geology
T Technology > T Technology (General)
Divisions: Geoscience and Petroleum Engineering
Depositing User: Users 2053 not found.
Date Deposited: 30 Sep 2013 16:55
Last Modified: 25 Jan 2017 09:47
URI: http://utpedia.utp.edu.my/id/eprint/7846

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