THE ACTIVATED CHEMISORPTION OF METHANE ON NICKEL Ⅱ.DISSOCIATION DYNAMICS OF CH_4 ON Ni(111)SURFACE

来源 :Journal of Natural Gas Chemistry | 被引量 : 0次 | 上传用户:ponny2006
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A model LEPS potential has been developed to describe the interac-tion of methane molecule with the Ni(111)crystal face.It was found thatthere exists a barrier in the entrance channel for the dissociation process of CH_4on Ni(111).Classical trajectory calculations have been performed to study theactivated chemisorption dynamics.The initial sticking probability(S_0)can beeffectively promoted by the translational energy as well as the vibrational ener-gy.And S_0 increases with increasing the incident angle of CH_4 to the surface.Finally,a direct collisional activation mechanism is suggested for the dissocia-tion of CH_4 on Ni(111). A model LEPS potential has been developed to describe the interac- tion of methane molecules with the Ni (111) crystal face. It was found that there exists a barrier in the entrance channel for the dissociation process of CH_4on Ni (111). Classic trajectory calculations have been performed to study the activated chemisorption dynamics. The initial sticking probability (S_0) can be effectively promoted by the translational energy as well as the vibrational ener- gy. And S_0 increases with increasing the incident angle of CH_4 to the surface. Finally, a direct collisional activation mechanism is suggested for the dissociation of CH_4 on Ni (111).
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