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��ѧ��ҵ�빤�� 2009, Vol. 26 Issue (4) :338-341    DOI:
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Molecular Dynamics Simulation of Liquid Methanol
YU Lian-meng1,TANG Yao1,LIU Juan-hong1,LIU Jin-chao 1,2(1.Institute of Atomic and Molecular Physics,Sichuan University,Chengdu 610065,Sichuan Province,China;2.Sichuan Optic and Energy Development Company,Chengdu 610065,Sichuan Province,China)
(1.Institute of Atomic and Molecular Physics,Sichuan University,Chengdu 610065,Sichuan Province,China;2.Sichuan Optic and Energy Development Company,Chengdu 610065,Sichuan Province,China

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Abstract�� The microstructures and self-diffusion coefficients of the liquid methanol with density of 0.78 g/cm3 at 298 K,550 K,950 K were performed by molecular dynamics method.Results showed that the peaks' positions of radial distribution functions shifted left with the increase of temperature,the first peak value decreased and the peak-to-peak raised.The diffusion coefficients increased linearly with the increase of temperature.
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Received 2009-07-15; published 2009-07-15
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������;��ҫ;�����;������;.Һ̬�״��ķ��Ӷ���ѧģ��[J].  ��ѧ��ҵ�빤��, 2009,26(4): 338-341
YU Lian-meng1,TANG Yao1,LIU Juan-hong1,LIU Jin-chao 1,2.Molecular Dynamics Simulation of Liquid Methanol[J].  Chemcial Industry and Engineering, 2009,26(4): 338-341
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