Hard modelling of spectroscopic measurements. Applications in non-ideal industrial reaction systems

被引：34

作者：

Molloy, KJ

Maeder, M ^{[1
]}

Schumacher, MM

机构：

[1] Univ Newcastle, Dept Chem, Callaghan, NSW 2309, Australia

[2] Proc Optimizat Dept, CH-3930 Visp, Switzerland

来源：

CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS | 1999年 / 46卷 / 02期

关键词：

hard modelling; spectroscopic; reaction kinetics;

D O I：

10.1016/S0169-7439(98)00173-7

中图分类号：

TP [自动化技术、计算机技术];

学科分类号：

0812 ;

摘要：

Hard modelling involves the fitting of a defined mathematical relationship to measured data. This traditionally requires measurements that are done under ideal conditions, such as thermostated solutions, constant ionic strength, etc, rn industrial situations, such conditions are often not maintained and recent attempts have been undertaken to allow the analysis of such data. In this contribution, we report on the hard modelling analyses of reactions with non-constant catalyst concentration. The reversible acid-catalysed esterification reaction of cyanoacetic acid with ethanol was investigated. (C) 1999 Elsevier Science B.V. All rights reserved.

引用

页码：221 / 230

页数：10

共 22 条

[1] On the rank deficiency and rank augmentation of the spectral measurement matrix [J].