Kinetic modelling of gas hydrate formation using the collision theory

مرکز و کتابخانه مطالعات اسلامی به زبان های اروپایی

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" Kinetic modelling of gas hydrate formation using the collision theory "
Mohammad Ahsaah Quasem S. Lee

Document Type	:	Latin Dissertation
Language of Document	:	English
Record Number	:	53929
Doc. No	:	TL23883
Call number	:	‭1459401‬
Main Entry	:	Mohammad Ahsaah Quasem
Title & Author	:	Kinetic modelling of gas hydrate formation using the collision theory\ Mohammad Ahsaah Quasem
College	:	Texas A&M University - Kingsville
Date	:	2007
Degree	:	M.S.
student score	:	2007
Page No	:	55
Abstract	:	This thesis focuses on the development of a new kinetic rate expression for the formation of gas hydrates. It builds upon existing the statistical thermodynamic - collision theory approach to hydrate formation with the Maxwell probability distribution to formulate a new method to describe hydrate kinetics - both formation and dissociation. The research uses statistical molecular dynamic (MD) simulations -- statistics and molecular movements - to simulate the thermodynamic processes of hydrate formation. In particular this research uses a statisitical thermodynamics MD simulator called Moldy® to model the interactions of water and methane, gas molecules to form hydrates in specific conditions of temperature and pressure. Moldy® solves Newton's equations of motion giving average energies. These energies may then be used to determine the system pressure (number of collisions at our system conditions) for hydrate formation. Subtracting the equilibrium pressure (number of collisions at equilibrium at conditions) allows the calculation of net overall collision driving force. From this overall rate of reaction and rate constants may be evaluated. The main aim of the thesis is to determine an energy scaling factor, [varepsilon], which when multiplied by the average kinetic energy (from Moldy ® ) gives the activation needed for the hydrate formation reaction. This process is to be repeated for ethane hydrate. Finally the calculated rates are to be compared with published values and % error determined. The average error was calculated as 24% for methane gas hydrate and 8% for ethane gas hydrate.
Subject	:	Applied sciences; Chemical engineering; 0542:Chemical engineering
Added Entry	:	S. Lee
Added Entry	:	Texas AM University - Kingsville