Categorical Modeling of the Flow Pattern of Liquid Organic Compounds Between Blade Electrodes Using Semiempirical and ab initio Quantum Chemical Descriptors

Croatica Chemica Acta

Onizuka, Hiroya²  Iwai, Yoshio²  Aptula, Aynur¹  Yoshida, Kohei²  Arai, Yasuhiko²  Schüürmann, Gerrit¹  Ebert, Ralf-Uwe¹  Kühne, Ralph¹  Suzuki, Takahiro³ 

[1] Department of Chemical Ecotoxicology, UFZ Centre for Environmental Research, Permoserstr. 15, D-04318 Leipzig, Germany;Department of Chemical Engineering, Faculty of Engineering, Kyushu University, 6-10-1 Hakozaki, Higashi-ku, Fukuoka 812-8581, Japan;Natural Science Laboratory, Toyo University, 2-11-10 Oka, Asaka, Saitama 351-8510, Japan

关键词: flow pattern;    organic liquids;    contingency table statistics;    linear discriminant analysis;    binary logistic regression;    quantum chemical...;   

DOI  :  

学科分类：化学（综合）

来源: Croatica Chemica Acta

【 摘 要 】

For a data set of 30 organic fluids, categorical modeling has been employed to predict the flow pattern under an external electric field. To this end, a previously generated data set was augmented by 10 compounds with new experimental...

【 授权许可】

Unknown