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  5. Molecular simulation study of controlling n-paraffin crystal morphology

Molecular simulation study of controlling n-paraffin crystal morphology

来源 :The 7th Sino-US Conference of Chemical Engineering(第7届中美化学工程 | 被引量 : 0次 | 上传用户：t60720372f
【摘 要】
：
Based on the attachment energy model,the crystal morphology and crystallization behavior of n-octadecane were predicted by using Morphology module of Materials Studio.The effects of additives on the c
【作 者】
：
Yan Li Yi Zhao Han Zhou Qinghua Duan Zuoxin Huang 
【机 构】
：
Research Institute of Petroleum Processing,Beijing 100083,China
【出 处】
：
The 7th Sino-US Conference of Chemical Engineering(第7届中美化学工程
【发表日期】
：
2013年11期
【关键词】
：
N-paraffin crystal morphology ethylene-vinyl acetate copolymer Monte Carlo metho 
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　　Based on the attachment energy model,the crystal morphology and crystallization behavior of n-octadecane were predicted by using Morphology module of Materials Studio.The effects of additives on the crystal morphology were studied with Monte Carlo (MC) method and molecular dynamics (MD) simulations.The result shows that the theoretical shapes of the n-octadecane are hexahedron flake,and the visible crystal surfaces of n-ocatdecane are (001),(010),(101) and (111).
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