中北大学学报（自然科学版）2017，Vol.38Issue(2)：202-208,248,8.DOI:10.3969/j.issn.1673-3193.2017.02.019
溶剂对HNS晶体形貌的影响研究
Study on the Effect of Solvent on Crystal Morphology of 2,2', 4,4', 6,6'-Hexanitrostilbene
陈丽珍 1佘冲冲 1宋亮 1曹端林 1柳媛媛1
作者信息
- 1. 中北大学化工与环境学院,山西太原030051
- 折叠
摘要
Abstract
In order to study crystal morphology controlling of HNS in different solvents,experiment method and theoretical simulation predictions were applied.The attachment energy (AE) models were employed to predict the growth morphology and the main crystal faces of HNS in vacuum.The molecular dynamics (MD) simulation was applied to investigate the interaction of HNS crystal faces and DMF,DMSO,ACN,NMP,GBL,DMF/ACN,NMP/PhCl solvents and the growth habits of above solvents were predicted using the modified AE model.The HNS cooling crystallization experiment were carried out,the crystal inorphology was captured by in situ particle image analyzer,and the results were compared with the theoretical predictions.Results indicate that crystallized in DMSO and GBL solvents,HNS crystal morphologies is very close to needle.In NMP and NMP/chlorobenzene solvents,they are very close to long column.In CAN,DMF,and DMF/CAN solvents,They become very close to long flake.关键词
六硝基芪/晶体形貌/形貌预测/冷却结晶Key words
HNS/crystal morphology/crystal morphology prediction/cooling crystallization分类
化学化工引用本文复制引用
陈丽珍,佘冲冲,宋亮,曹端林,柳媛媛..溶剂对HNS晶体形貌的影响研究[J].中北大学学报（自然科学版）,2017,38(2):202-208,248,8.
