An adaptive distance-based group contribution method for thermodynamic property prediction-Reference-Cited by-同舟云学术

An adaptive distance-based group contribution method for thermodynamic property prediction

Published:2016 Issue:34 Volume:18 Page:23822-23830
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

He Tanjin¹²³⁴⁵,Li Shuang⁵²³⁴⁶,Chi Yawei⁵²³⁴⁷,Zhang Hong-Bo⁵²³⁴⁷,Wang Zhi¹²³⁴,Yang Bin⁵²³⁴⁷,He Xin⁸⁹¹⁰,You Xiaoqing⁵²³⁴⁷

Affiliation:

1. State Key Laboratory of Automotive Safety and Energy

2. Tsinghua University

3. Beijing 100084

4. China

5. Center for Combustion Energy

6. National Synchrotron Radiation Laboratory

7. Key Laboratory for Thermal Science and Power Engineering of the Ministry of Education

8. Aramco Services Company: Aramco Research Center-Detroit

9. Novi

10. USA

Abstract

A new distance-based group contribution method that describes intramolecular interactions systematically is developed to calculate thermodynamic properties accurately and efficiently.

Funder

National Natural Science Foundation of China

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2016/CP/C6CP02929A

Reference42 articles.

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5. Additivity rules for the estimation of thermochemical properties

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