Development of a robust algorithm to compute reactive azeotropes

Brazilian Journal of Chemical Engineering

M. H. M. Reis¹  L. F. S. Mascolo¹  M. R. Wolf-maciel¹ 

[1] ,State University of Campinas Chemical Engineering School Chemical Process DepartmentCampinas São Paulo ,Brazil

关键词: Chemical equilibria;    Phase equilibria;    Reactive distillation;    Reactive azeotrope;   

DOI  :  10.1590/S0104-66322006000300013

来源: SciELO

【 摘 要 】

In this paper, a novel approach for establishing the route for process intensification through the application of two developed softwares to characterize reactive mixtures is presented. A robust algorithm was developed to build up reactive phase diagrams and to predict the existence and the location of reactive azeotropes. The proposed algorithm does not depend on initial estimates and is able to compute all reactive azeotropes present in the mixture. It also allows verifying if there are no azeotropes, which are the major troubles in this kind of programming. An additional software was developed in order to calculate reactive residue curve maps. Results obtained with the developed program were compared with the published in the literature for several mixtures, showing the efficiency and robustness of the developed softwares.

【 授权许可】

CC BY   
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