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  5. Molecular dynamics simulation of nitrobenzene in heterocyclic ionic liquids

Molecular dynamics simulation of nitrobenzene in heterocyclic ionic liquids

来源 :The 15th ICQC International Congress of Quantum Chemistry(第1 | 被引量 : 0次 | 上传用户：chung51
【摘 要】
：
The diffusions of nitrobenzene(PhNO2)in 11 pure ionic liquids(ILs)and 9 binary composite ionic liquids with the volume ratio 1:1 were examined by molecular dynamics(MD)simulation.
【作 者】
：
Jianping Zeng Yinxu Zhang Yong Dai Song Chen 
【机 构】
：
School of Chemical and Biological Engineering,Yancheng Institute of Technology,Yancheng 224051,China
【出 处】
：
The 15th ICQC International Congress of Quantum Chemistry(第1
【发表日期】
：
2015年5期
【关键词】
：
Nitrobenzene Heterocyclic ionic liquids Molecular dynamics simulation Diffusion 
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　　The diffusions of nitrobenzene(PhNO2)in 11 pure ionic liquids(ILs)and 9 binary composite ionic liquids with the volume ratio 1:1 were examined by molecular dynamics(MD)simulation.
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