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	Thermodynamic modeling of electrolyte solutions by a hybrid ion-interaction and solvation (HIS) model
	Ge, Xinlei ; Wang, Junfeng ; Zhang, Zuotai ; Wang, Xidong ; Chen, Mindong
	2015
关键词	Electrolyte solutions Phase equilibrium Thermodynamic properties Activity coefficient MEAN SPHERICAL APPROXIMATION LOCAL COMPOSITION MODEL TEMPERATURE 298.15 K ADSORPTION-ISOTHERM MODEL MODIFIED PITZER EQUATION SOLID-LIQUID EQUILIBRIA EXCESS GIBBS ENERGY EMMETT-TELLER BET 3-CHARACTERISTIC-PARAMETER CORRELATION MODEL MODIFIED BROMLEYS METHODOLOGY
DOI	10.1016/j.calphad.2014.11.001
英文摘要	A novel hybrid ion-interaction and solvation (HIS) model was recently developed based on the work of Lin et al. [117]. This report presents the model formulations for calculating the mean activity coefficient, osmotic coefficient, solvent activity, vapor pressure, vaporization enthalpy, freezing point depression (FPD) and boiling point elevation (BPE) of electrolytes solutions. A critical evaluation of the model performance was conducted by investigating statistically the standard deviations of modeling results from measured data for a large number of systems, and comparing with the classical Pitzer equation which only considers ion-interactions, as well as the Bromley model. The model is proven to be valid for both aqueous and nonaqueous solutions across a wide concentration range, and it performs better than the Pitzer model for some specific systems; in particular, it behaves very well for a few highly concentrated systems, indicating the importance of solvation effect on properties of concentrated solutions. The model is successfully applied for calculating the mean activity coefficients and osmotic coefficients of a few sample systems. Estimated vapor pressures are fairly consistent with measured values, with an average error of 1.6% for aqueous solutions and 03% for non-aqueous solutions. Estimation of the vaporization enthalpies yields a mean error of 8.0%. Although only parameters obtained for systems at T=298.15 K are used, the model is also effective in the FPD and BPE predictions, with average errors of 4.0% and 8.7%, respectively. (C) 2014 Elsevier Ltd. All rights reserved.; http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&KeyUT=WOS:000350784500009&DestLinkType=FullRecord&DestApp=ALL_WOS&UsrCustomerID=8e1609b174ce4e31116a60747a720701 ; Thermodynamics; Chemistry, Physical; SCI(E); EI; 1; ARTICLE; caxinra@163.com; 79-88; 48
语种	英语
内容类型	期刊论文
源URL	[http://ir.pku.edu.cn/handle/20.500.11897/206106]
专题	工学院
推荐引用方式 GB/T 7714	Ge, Xinlei,Wang, Junfeng,Zhang, Zuotai,et al. Thermodynamic modeling of electrolyte solutions by a hybrid ion-interaction and solvation (HIS) model[J],2015.
APA	Ge, Xinlei,Wang, Junfeng,Zhang, Zuotai,Wang, Xidong,&Chen, Mindong.(2015).Thermodynamic modeling of electrolyte solutions by a hybrid ion-interaction and solvation (HIS) model..
MLA	Ge, Xinlei,et al."Thermodynamic modeling of electrolyte solutions by a hybrid ion-interaction and solvation (HIS) model".(2015).

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