  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 theoryMohammad 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 A&M University  Kingsville 
     
   
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