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Tolman length of simple droplet: Theoretical study and molecular dynamics simulation
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作者 Shu-Wen Cui Jiu-An Wei +3 位作者 Qiang Li Wei-Wei Liu Ping Qian Xiao Song Wang 《Chinese Physics B》 SCIE EI CAS CSCD 2021年第1期443-448,共6页
In 1949, Tolman found the relation between the surface tension and Tolman length, which determines the dimensional effect of the surface tension. Tolman length is the difference between the equimolar surface and the s... In 1949, Tolman found the relation between the surface tension and Tolman length, which determines the dimensional effect of the surface tension. Tolman length is the difference between the equimolar surface and the surface of tension. In recent years, the magnitude, expression, and sign of the Tolman length remain an open question. An incompressible and homogeneous liquid droplet model is proposed and the approximate expression and sign for Tolman length are derived in this paper. We obtain the relation between Tolman length and the radius of the surface of tension(R_(s)) and found that they increase with the Rs decreasing. The Tolman length of plane surface tends to zero. Taking argon for example, molecular dynamics simulation is carried out by using the Lennard–Jones(LJ) potential between atoms at a temperature of 90 K. Five simulated systems are used, with numbers of argon atoms being 10140, 10935, 11760, 13500, and 15360, respectively. By methods of theoretical study and molecular dynamics simulation, we find that the calculated value of Tolman length is more than zero, and it decreases as the size is increased among the whole size range. The value of surface tension increases with the radius of the surface of tension increasing, which is consistent with Tolman’s theory. These conclusions are significant for studying the size dependence of the surface tension. 展开更多
关键词 Tolman length surface tension radius of surface of tension radius of equimolecular surface molecular dynamics simulation
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乙烯裂解原料等效分子组成的预测方法 被引量:5
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作者 彭辉 张磊 +1 位作者 邱彤 陈丙珍 《化工学报》 EI CAS CSCD 北大核心 2011年第12期3447-3451,共5页
石油烃的组成分析是建立石油烃热裂解的自由基机理反应模型的前提。本文将作为乙烯裂解原料的石油烃组成分子的结构特征以及石油烃的常规物性数据,如平均分子量、氢碳比、PIONA值、模拟蒸馏馏程等,与信息熵理论相结合,建立了预测其等效... 石油烃的组成分析是建立石油烃热裂解的自由基机理反应模型的前提。本文将作为乙烯裂解原料的石油烃组成分子的结构特征以及石油烃的常规物性数据,如平均分子量、氢碳比、PIONA值、模拟蒸馏馏程等,与信息熵理论相结合,建立了预测其等效分子组成的方法。以预测石脑油、加氢尾油的等效分子组成为例,所产生的等效分子组成的常规物性计算值与实验值吻合较好,验证了该方法的有效性。 展开更多
关键词 石油烃 热裂解 常规物性 信息熵 等效分子组成
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等物质的量反应规则和容量分析计算
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作者 吴淑宜 《南通职业大学学报》 2001年第3期3-6,共4页
文章以正确理解物质的量和浓度为前提 ,阐明等物质的量反应规则在容量分析计算中的运用。
关键词 物质 量反应规则 容量分析 浓度 摩尔质量
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