A ReaxFF molecular dynamics (MD) simulation for the hydrogenation reaction with coal related model compounds-Reference-Cited by-同舟云学术

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A ReaxFF molecular dynamics (MD) simulation for the hydrogenation reaction with coal related model compounds

Published:2015-08 Issue: Volume:154 Page:114-122
ISSN:0016-2361
Container-title:Fuel
language:en
Short-container-title:Fuel

Author:

Chen Bo,Diao Zhi-Jun,Zhao Yu-Lan,Ma Xiao-Xun

Funder

National Natural Science Foundation of China

Education Bureau of Shaanxi Province

Natural Science Foundation of Northwest University

Publisher

Elsevier BV

Subject

Organic Chemistry,Energy Engineering and Power Technology,Fuel Technology,General Chemical Engineering

Reference30 articles.

1. Hydrogenolysis of coal-related model compounds by carbon monoxide-water mixture;Takemura;Fuel,1981

2. Mechanisms of condensation of biaryl hydrocarbons;Senthilnathan;J Org Chem,1988

3. Effects of hydrogen pressure, sulfur, and iron sulfide (FeS2) on diphenylmethane hydrocracking;Wei;Energ Fuel,1992

4. The hydrogenolysis of diarylmethane: mechanism for hydrogen transfer from solvents and additive effects of hydrogen shuttlers and organic radical sources;Futamura;Fuel,1988

5. Additive effects of solvent-refined coal fractions and aromatic compounds on the hydrogenolysis of diarylmethanes;Futamura;Energy Fuel,1989

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