Crystallization of polyethylene by modified weighted density approximation(MWDA)
作者： Alireza Razeghizadeh , Vahdat Rafee , Farhad Lavafpour
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摘要: In this article, we use the modified weighted density approximation to study crystallization of polyethylene. We also a direct correlation function polyethylene based on RISM theory. The free energy is calculated using functional and solid liquid are finally compared with prism simulation experimental results. That shown result obtained by MWDA in better agreement, than prism.
arxiv.org
128.84.21.199参考文章(49)
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