沥青质结构特性对其分子间相互作用影响的分子模拟研究

来源 :第九届国际分子模拟与信息技术应用学术会议(ICMS&I2018) | 被引量 : 0次 | 上传用户:yueyegg
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  石油沥青质是原油中最重、芳香性最强的组分,一般认为沥青质是溶解度类物质,常用的有正戊烷—沥青质,即甲苯可溶,正戊烷不溶,正庚烷-沥青质,即甲苯可溶,正庚烷不溶。沥青质并没有一个确定的分子结构,它是一种复杂的分子混合物,甚至可能含有约一百万种不同的化学结构。近年来,沥青质分子水平表征工作取得了一定的进步,目前普遍接受沥青质分子平均分子量为750g/mol,由芳核(4-10个芳环),环烷环,脂肪侧链(3-7个碳)及S、N、O等杂原子组成[1-4]。
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