THEORY OF COLLISIONAL ACTIVATION OF MACROMOLECULES - IMPULSIVE COLLISIONS OF ORGANIC IONS

被引:86
作者
UGGERUD, E [1 ]
DERRICK, PJ [1 ]
机构
[1] UNIV WARWICK,DEPT CHEM,COVENTRY CV4 7AL,W MIDLANDS,ENGLAND
关键词
D O I
10.1021/j100156a073
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
In the first part of the paper, a simple model for impulsive energy transfer in a collision between a macromolecular ion and a gas atom is presented. The main result of the derivation is an equation that gives the connection between the amount of energy transferred in the collision and the angle by which the ion is scattered. In the second part, the predictions of the simple theory are compared with a set of computer simulations based on a more detailed molecular model. When small amounts of energy are transferred, the simple model gives results in agreement with the more detailed model. At higher energies, the results of the simple model deviate from those of the more detailed model.
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收藏
页码:1430 / 1436
页数:7
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