New computational tool to evaluate experimental VLE and VLLE data of multicomponent systems

Fernández, Luís; Ortega, Juan; Wisniak, Jaime

doi:10.1016/j.compchemeng.2017.07.003

Cited by 8 publications

(25 citation statements)

References 142 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…The problem lies in confirming whether the experimental information obtained is coherent/consistent with the theoretical formalism established by thermodynamics . As explained in previous articles, phase equilibria experimentation usually leads to measuring a number of variables larger than those established by the degrees of freedom of the system studied; clearly oversized as determined by the phase rule. Therefore, a mathematical‐thermodynamic tool must be found that checks the “degree of correlation” between the variables found experimentally and scientific formalism.…”

Section: Introductionmentioning

confidence: 89%

“…To carry out some applications that show the practical utility of the previous mathematical formalism, binary solutions are chosen (with a volatile and a nonvolatile component), as the extension to multicomponent solutions is immediate as described previously . Likewise, the application to VLLE is similar to the cases already presented . The particularization of Equation for binary solutions produces:

([], x_{nv} {(\frac{\partial \ln γ_{nv}}{\partial x_{1}})}_{p, T} - 1) = φ_{ψ} ((), \frac{italicdψ}{{dx}_{1}})

…”

Section: Thermodynamics Of the Consistency Test For Vapor–liquid Equimentioning

confidence: 99%

“…The resolution of this differential equation is not possible because the term in square brackets cannot be evaluated from experimental data, as the relation between the compositions in the two phases is constant, fulfilling the condition: ∀ x 1 : y nv = 0 → ( ∂y 1 / ∂x 1 ) = 0. However, the resolution of Equation , using the integral‐procedure , allows evaluating the consistency of the {data+model} set. In this case, the assessment of the data quality is done by checking that the difference between the experimental values of ψ , ψ i,exp , and those calculated by the test, ψ i,cal , are lower than the maximum admissible degree of inconsistency which, in turn, depends upon the quality level required.

{\overset{false^}{ψ}}_{i} = ε_{ψ, i}^{M} - (||, ψ_{i, \exp} - ψ_{i, cal}) = ε_{ψ, i}^{M} - (||, {italicδψ}_{i})

…”

Section: Thermodynamics Of the Consistency Test For Vapor–liquid Equimentioning

confidence: 99%

“…The principles described previously are applied here to different VLE of solutions containing a nonvolatile species (nv‐VLE). The irruption of ionic compounds, solids and/or liquids, in multiple applications, especially in the field of chemical engineering, has led to the development of a unique line of work in the area of phase equilibria.…”

Section: Introductionmentioning

confidence: 99%

“…Based on the above considerations, the structure proposed for this manuscript is as follows: A mathematical approach that allows formalizing a consistency test/procedure for the phase equilibria of nv‐VLE systems. Description of the model used and the procedure followed to optimize its parameters. This step a crucial given the repercussions of the model on the consistency, as described previously Graduation step (quantitative and qualitative) of the designed methodology, with application to artificial data sets of dissolutions, containing induced errors in the variables, where the influence of errors on the definition of the test is analyzed. The last part presents the results obtained by applying the proposed method to real data sets, choosing the most significant cases from the literature to obtain a more in‐depth analysis, which can be of value to other researchers in the field.…”

Section: Introductionmentioning

confidence: 99%

See 4 more Smart Citations

Extension of the validation method for vapor–liquid equilibrium data to systems with nonvolatile components

2019

View full text Add to dashboard Cite

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 M ψ, i − ψ i,exp −ψ i, cal =ψ, witĥ

show abstract

Section: Introductionmentioning

confidence: 89%

([], x_{nv} {(\frac{\partial \ln γ_{nv}}{\partial x_{1}})}_{p, T} - 1) = φ_{ψ} ((), \frac{italicdψ}{{dx}_{1}})

…”

Section: Thermodynamics Of the Consistency Test For Vapor–liquid Equimentioning

confidence: 99%

{\overset{false^}{ψ}}_{i} = ε_{ψ, i}^{M} - (||, ψ_{i, \exp} - ψ_{i, cal}) = ε_{ψ, i}^{M} - (||, {italicδψ}_{i})

…”

Section: Thermodynamics Of the Consistency Test For Vapor–liquid Equimentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 3 more Smart Citations

Extension of the validation method for vapor–liquid equilibrium data to systems with nonvolatile components

2019

View full text Add to dashboard Cite

show abstract

Assessment of liquid–liquid equilibrium data by solving the Gibbs‐Duhem equation

2022

View full text Add to dashboard Cite

A methodology, based on the Gibbs-Duhem equation, is developed to study the thermodynamic consistency of liquid-liquid equilibrium (LLE) data. The method proposes evaluating the experimental data in two ways: (a) integral-form, verifying dependences among variables in the same phase, both for temperatures: b, and compositions: b, and(b) differential-form, which validates relationships between the compositions of eachA coverage factor κ is introduced in both approaches to define the degree of confidence of the evaluation using a database (T, x I 1 , x II 1 ) of 50 binary systems to define the limits of inconsistency. With κ = 3, more than 60% of the set is accepted (κ > 3 falls to 38%) providing a guarantee of quality for LLE data. The results show that the consistency test can detect errors in the set {data + model} under study, although the absence of a reference state for the LLE gives the model a limited sensitivity to systematic errors.

show abstract

The precision-complexity binomial to achieve the best mathematical-thermodynamic modelling on the Gibbs-function and its effect on the separation processes design

Sosa

Ortega

Fernández

et al. 2022

Journal of Industrial and Engineering Chemistry

View full text Add to dashboard Cite

New computational tool to evaluate experimental VLE and VLLE data of multicomponent systems

Cited by 8 publications

References 142 publications

Extension of the validation method for vapor–liquid equilibrium data to systems with nonvolatile components

Extension of the validation method for vapor–liquid equilibrium data to systems with nonvolatile components

Assessment of liquid–liquid equilibrium data by solving the Gibbs‐Duhem equation

The precision-complexity binomial to achieve the best mathematical-thermodynamic modelling on the Gibbs-function and its effect on the separation processes design

Contact Info

Product

Resources

About