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Title: Extension of the validation method for vapor–liquid equilibrium data to systems with nonvolatile components
Authors: Fernández Suárez, Luis Jesús 
Ortega Saavedra, Juan 
Wisniak, Jaime
UNESCO Clasification: 3303 ingeniería y tecnología químicas
Keywords: Modeling
Nonvolatile compounds
Thermodinamic properties
Issue Date: 2019
Journal: AIChE journal 
Abstract: In this work, a method is proposed to validate the experimental data of solutions of n‐components in vapor–liquid equilibria (VLE) with some nonvolatile component (nv‐VLE). The methodology is based on the resolution of the differential Gibbs–Duhem equation using two forms (differential and integral) described in a previous work. The combination of both forms evaluates as many relationships between the variables that define each data series in equilibrium (p, T, x1, … , n‐1, y1, … , n‐1) as degrees of freedom the problem has, although in this work it is only necessary to use the integral form. The proposed method is applied to 70 experimental data series published in the literature, considering the numerical limits previously assigned to parameters established for the integral‐form, according to the following. (a) A parameter ψ is identified as p or T according to if the data are iso‐T or iso‐p; (b) verification of the data is assessed by the difference urn:x-wiley:00011541:media:aic16628:aic16628-math-0005, with urn:x-wiley:00011541:media:aic16628:aic16628-math-0006 > 0, and urn:x-wiley:00011541:media:aic16628:aic16628-math-0007 is determined by an uncertainty procedure of the inconsistency function urn:x-wiley:00011541:media:aic16628:aic16628-math-0008, being urn:x-wiley:00011541:media:aic16628:aic16628-math-0009; and (c) The parameter κψ depends on the type of equilibrium. With κψ = 5, the rejection ratio of the total analyzed is 12%, this percentage increases as the level of quality required increases above 31% for κψ = 3. The calculations require a precise representation of the binomial {data+model}, which produces excellent results for the treatment of nv‐VLE and the properties of solutions, whose parametrization is achieved by an advanced procedure of combined optimization.
ISSN: 0001-1541
DOI: 10.1002/aic.16628
Source: Aiche Journal[ISSN 0001-1541],v. 65 (8)
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