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Theoretical prediction of the specific heat of polymer glasses

 

作者: E. A. DiMarzio,   F. Dowell,  

 

期刊: Journal of Applied Physics  (AIP Available online 1979)
卷期: Volume 50, issue 10  

页码: 6061-6066

 

ISSN:0021-8979

 

年代: 1979

 

DOI:10.1063/1.325794

 

出版商: AIP

 

数据来源: AIP

 

摘要:

Lattice vibrations are incorporated into the Gibbs‐DiMarzio configurational entropy theory of glasses. A comparison is made with data compiled by O’Reilly. The resulting theory predicts the specific‐heat discontinuity at the glass transition to within 20%. No adjustable parameters are involved; only the chemical structure need be known. The specific‐heat discontinuity has three parts. The formula in customary notation is &Dgr;cp=R(&Dgr;&egr;/kTg)2 f(1−f) +RTg&Dgr;&agr; (4−Tg&Dgr;&agr;/0.06) +0.5Tg&Dgr;&agr;cp(Tg−). The first part is a configurational term arising from shape changes of the molecules (?50% of total). The second part is a configurational term arising from volume expansion (?30% of total). Finally there is a vibrational contribution arising from the change of the force constants (or characteristics frequencies) with temperature (?20% of total).

 

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