Weakening Hydrogen Bond of Thick Oil of Petroleum by Several Catalysts


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The process of use catalyst or functional material that contains iron ion to weaken -O-H-X- (X=O, N and S) bond of the thick oil to reduce viscidity or crack, in aspects of the ion charge, covalent bond order, total energy and the average distance of Fe-X, is studied with density function theory and discrete variational method (DFT-DVM), one of the first principle methods. Sulfur is with positive charge, and the hydrogen bond of -O-H-S- does not form. The strength of -O-H-N- hydrogen bond is a bit larger than that of -O-H-O-. With the decrease of the distance of Fe-X (X=O, N), the charge of Fe ion increases, the charge of hydrogen ion decreases, and hydrogen bond is weakened.



Advanced Materials Research (Volumes 228-229)

Edited by:

Quanjie Gao




H. F. Liu et al., "Weakening Hydrogen Bond of Thick Oil of Petroleum by Several Catalysts", Advanced Materials Research, Vols. 228-229, pp. 141-146, 2011

Online since:

April 2011




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