Zhi-Jun Diao

ReaxFF reactive force field for molecular dynamics simulations of epoxy resin thermal decomposition with model compound

Zhi-Jun Diao, Yuemin Zhao, Bo Chen et al. · Journal of Analytical and Applied Pyrolysis · 2013 · 116 citations

Materials Science, Chemical Kinetics, Engineering +11

Using the ReaxFF reactive force field for molecular dynamics simulations of the spontaneous combustion of lignite with the Hatcher lignite model

Bo Chen, Zhi-Jun Diao, H. Y. Lu · Fuel · 2013 · 75 citations

Molecular Dynamics, Engineering, Natural Sciences +12

Amine-impregnated silicic acid composite as an efficient adsorbent for CO2 capture

Qinghua Lai, Zhi-Jun Diao, Lingli Kong et al. · Applied Energy · 2018 · 58 citations

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

Bo Chen, Zhi-Jun Diao, Zhao YuLan et al. · Fuel · 2015 · 33 citations

Molecular Kinetics, Chemical Engineering, Chemical Kinetics +13

Amorphous Ni-Ru bimetallic phosphide composites as efficient catalysts for the hydrogenolysis of diphenyl ether and lignin

Zhi-Jun Diao, Liang-Qiu Huang, Bo Chen et al. · Fuel · 2022 · 26 citations

Materials Science, Chemical Engineering, Catalytic Application +9