CIESC Journal

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STUDY AND IMPROVEMENT OF RIHANI-DORAISWAMY ESTIMATION METHOD FOR Cp° WITH COMPUTER PROGRAM

董茜; 严新建; 许志宏   

  1. Institute of Chemical Metallurgy, Academia Sinica, Beijing

  • 收稿日期:1900-01-01 修回日期:1900-01-01 出版日期:1989-06-28 发布日期:1989-06-28
  • 通讯作者: 董茜

STUDY AND IMPROVEMENT OF RIHANI-DORAISWAMY ESTIMATION METHOD FOR Cp° WITH COMPUTER PROGRAM

DONG Qian; YAN Xinjian; XU Zhihong   

  1. Institute of Chemical Metallurgy, Academia Sinica, Beijing
  • Received:1900-01-01 Revised:1900-01-01 Online:1989-06-28 Published:1989-06-28
  • Contact: DONG Qian

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摘要： Based on the group contribution method of Rihani and Doraiswamy, a program system has been set up for automatically analyzing structures and computing ideal gas heat capacities. The method was verifled by using evaluated literature data of 479 organic compounds. The assessment of its computing precision and applicability has been made and some new group parameters recommended.

Abstract: Based on the group contribution method of Rihani and Doraiswamy, a program system has been set up for automatically analyzing structures and computing ideal gas heat capacities. The method was verifled by using evaluated literature data of 479 organic compounds. The assessment of its computing precision and applicability has been made and some new group parameters recommended.

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