Use of recurrent neural networks for determination of 7-epiclusianone acidity constants in ethanol-water mixtures

Quimica nova

Costa, Éderson D' Martin¹  Santos, Marcelo Henrique dos¹  Lemes, Nelson Henrique Teixeira¹  Braga, João Pedro² 

[1] Universidade Federal de Alfenas, Alfenas, Brasil;Universidade Federal de Minas Gerais, Belo Horizonte, Brasil

关键词: inverse problem;    acidity constants;    dynamical optimization.;   

DOI  :  10.1590/S0100-40422012000100017

学科分类：化学（综合）

来源: Sociedade Brasileira de Quimica

【 摘 要 】

This work propose a recursive neural network to solve inverse equilibrium problem. The acidity constants of 7-epiclusianone in ethanol-water binary mixtures were determined from multiwavelength spectrophotmetric data. A linear relationship between acidity constants and the %w/v of ethanol in the solvent mixture was observed. The proposed method efficiency is compared with the Simplex method, commonly used in nonlinear optimization techniques. The neural network method is simple, numerically stable and has a broad range of applicability.

【 授权许可】

CC BY