当前位置: X-MOL 学术J. Ind. Eng. Chem. › 论文详情
Our official English website, www.x-mol.net, welcomes your feedback! (Note: you will need to create a separate account there.)
The precision-complexity binomial to achieve the best mathematical-thermodynamic modelling on the Gibbs-function and its effect on the separation processes design
Journal of Industrial and Engineering Chemistry ( IF 6.1 ) Pub Date : 2022-01-18 , DOI: 10.1016/j.jiec.2022.01.009
Adriel Sosa 1 , Juan Ortega 1 , Luís Fernández 1 , Beatriz Lorenzo 1
Affiliation  

A modelling methodology based on the precision-complexity binomial has been applied to a parametric model established for the Gibbs function, in order to achieve the best parameterization. This methodology is integrated into a multi-objective optimization method to describe, as accurately as possible, the real behaviour of a set of binary solutions of butyl butanoate-alkanes, for which several of their properties have been experimentally determined. The optimization is addressed with a genetic algorithm with elitism-control that favours the convergence, providing well distributed results along the efficient-fronts. A database of, approximately 1500 values, was generated, which used to check the numerical procedure. The representation of different properties is acceptably described with the multiproperty model constituted by the gE-model and its successive derivatives. In relation to other models, the approach carried out significantly improves the results because, in addition, it includes an estimation of the volumetric effects. A practical application was carried out with the simulation of a separation process for one of the systems that present a complex behaviour, providing solutions for its implementation in an industrial scale.



中文翻译:

实现吉布斯函数最佳数学-热力学建模的精密复杂二项式及其对分离过程设计的影响

基于精确复杂度二项式的建模方法已应用于为吉布斯函数建立的参数模型,以实现最佳参数化。该方法被集成到多目标优化方法中,以尽可能准确地描述一组丁酸丁烷二元溶液的真实行为,其中一些性质已通过实验确定。优化是通过具有精英控制的遗传算法来解决的,该算法有利于收敛,沿有效前沿提供分布良好的结果. 生成了一个包含大约 1500 个值的数据库,用于检查数值程序。不同属性的表示可以用由g E模型及其连续导数构成的多属性模型来描述。相对于其他模型,所执行的方法显着改善了结果,因为此外,它还包括对体积效应的估计。通过模拟其中一个具有复杂行为的系统的分离过程进行了实际应用,为工业规模的实施提供了解决方案。

更新日期:2022-01-18
down
wechat
bug