Thermodynamic modelling of aqueous aerosols containing electrolytes and dissolved organic compounds
Thermodynamic modelling of aqueous aerosols containing electrolytes and dissolved organic compounds
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DOI：
10.1016/s0021-8502(00)00105-1
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发表时间：
2001-06-01
影响因子：
4.5
通讯作者：
Brimblecombe, P
中科院分区：
文献类型：
--
作者：
Clegg, SL;Seinfeld, JH;Brimblecombe, P
提出了一种计算可溶性无机/有机混合气溶胶热力学性质的方法。它基于无机（电解质）多组分溶液和水/有机混合物组合的现有模型，以及表达离子和有机分子之间相互作用对所有混合物组分活性影响的简单热力学一致术语。用该方法计算了298.15 K时氯化钠/蔗糖/水、左维石/2-丁烯二酸/水、氯化钠/丁烯二酸/水的潮解性质。探讨了离子-有机相互作用项中近似的影响，结果表明，该方法可用于模拟氯化钠/丁酸/水混合物中的液/液相分离。在这个例子中，发现相分离导致的总吸水量与纯氯化钠相差不大。2001爱思唯尔科学有限公司版权所有。
A method for calculating the thermodynamic properties of soluble mixed inorganic/organic aerosols is proposed. It is based upon the use of existing models of inorganic (electrolyte) multicomponent solutions and water/organic mixtures in combination, together with simple thermodynamically consistent terms that express the effects of interactions between ions and organic molecules on the activities of all mixture components. The method is used to calculate the deliquescence properties of the following systems at 298.15 K: sodium chloride/sucrose/water, letovicite/2-butenedioic acid/water, and sodium chloride/butanoic acid/water. The effects of approximations in the ion-organic interaction terms are explored, and it is shown that the method can be used to model liquid/liquid phase separation in sodium chloride/butanoic acid/water mixtures. In this example, it is found that the phase separation results in total water uptake that differs little from that of pure sodium chloride. (C) 2001 Elsevier Science Ltd. All rights reserved.