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Molecular Dynamics of Liquid Argon: Collision Times and Durations

 

作者: J. Samios,   D. Samios,   W. Mersch,   Th. Dorfmüller,  

 

期刊: Berichte der Bunsengesellschaft für physikalische Chemie  (WILEY Available online 1982)
卷期: Volume 86, issue 1  

页码: 52-56

 

ISSN:0005-9021

 

年代: 1982

 

DOI:10.1002/bbpc.19820860111

 

出版商: Wiley‐VCH Verlag GmbH&Co. KGaA

 

关键词: Computersimulation;Flüssigkeiten;Statistische Mechanik;Zwischenmolekulare Wechselwirkungen

 

数据来源: WILEY

 

摘要:

AbstractThe mean collision time 〈τC〉 and the mean durations of collision 〈τD〉 in liquid argon were calculated by a molecular dynamics computer simulation. The calculations were performed from the triple point temperature ofT= 83.81 K toT= 150 K. The collision ratesZwere obtained under isothermal, isochoric and isobaric conditions and the corresponding derivativesas well as the isokinetic coefficienthave been calculated for our model and for liquid cell models. The use of the coefficients thus introduced for the calculation of frequency factors in solution kinetics is discussed. A comparison with collision induced spectra shows that the calculated values of 〈τC〉 and 〈τD〉 are in agreement with experimental d

 

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