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Extension of the validation method for vapor–liquid equilibrium data to systems with nonvolatile components
Author(s) -
Fernández Luís,
Ortega Juan,
Wisniak Jaime
Publication year - 2019
Publication title -
aiche journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.958
H-Index - 167
eISSN - 1547-5905
pISSN - 0001-1541
DOI - 10.1002/aic.16628
Subject(s) - parametrization (atmospheric modeling) , work (physics) , series (stratigraphy) , representation (politics) , component (thermodynamics) , mathematics , differential (mechanical device) , extension (predicate logic) , function (biology) , thermodynamics , computer science , algorithm , physics , paleontology , quantum mechanics , evolutionary biology , biology , politics , political science , law , programming language , radiative transfer
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 , x 1, … , n ‐1 , y 1, … , 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 ε ψ , i M −ψ i , exp − ψ i , cal= ψ ^ , withψ ^ i > 0, and ε ψ , i M is determined by an uncertainty procedure of the inconsistency function ε ψ M , 0 , being ε ψ M = κ ψ ε ψ M , 0 ; and (c) The parameter κ ψ depends on the type of equilibrium. With κ ψ = 5, the rejection ratio of the total analyzed is 12%, this percentage increases as the level of quality required increases above 31% for κ ψ = 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.

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