Calculation of Lennard-Jones (6-12) potential

Calculation of Lennard-Jones (6-12) potential

1Parameters of the Lennard-Jones Potential:σ*10^m-
2Parameters of the Lennard-Jones Potential:ε/kBK. or ε(kJ/mol)-
3Separation:r*10^m-
4GraphPlot Input Data:
5Number of gridlines of Graph x-axis, y-axis -
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Keyword・Reference・Remarks・History

LaTex

Keyword

Lennard-Jones (6-12) potential,Parameter,Separation,Boltzmann constant

Reference

[1]:Graham Woan著・堤正義訳:『ケンブリッジ物理公式ハンドブック』,共立出版,p.129,2007.
[2]:The Center for Polymer Studies:The Lennard--Jones potential
[3]:Website of New Jersey Institute of Technology:8. Van der Waals Potential Energy
[4]:A. Nasehzadeh, M. Mohseni, K. Azizi:『The effect of temperature on the Lennard–Jones (6–12) pair potential function』,Journal of Molecular Structure: THEOCHEM, Volumes 589-590, 16 August 2002, Pages 329-335
[5]:N. M. Putintsev and D. N. Putintsev:『Method for Determining the Parameters of the Lennard-Jones Potential』,Doklady Physical Chemistry, 2004, Volume 399, Numbers 1-3, Pages 278-282

Remarks

・Lennard-Jones (6-12) potential:Eb
・Parameter of the Lennard-Jones Potential:σ.『σ is the minimal distance between the interacting particles at which Eb= 0.』(Reference[5])
・Parameter of the Lennard-Jones Potential:ε.『ε is a parameter characterizing the depth of the potential well』(Reference[5])
・Separation:r
・Boltzmann constant:kB(=1.3806504*10^-23(J/K))
・Making Equation Image is powered by CODECOGS

History

・2010/11/26:Upload

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