Structure of methanol-methanol associate
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S.Y. Noskov; M.G. Kiselev; A.M. Kolker; B.M. Rode
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Article
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2001
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Elsevier Science
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English
⚖ 510 KB
Molecular dynamics simulations have been performed for 8 methanol-water solutions using rigid and flexible potential models. The heat capacity, the radial distribution fbnctions and potential mean force obtained by MD simulations were compared to previous simuhuions and experimental results. Special