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Computing the correlation between catalyst composition and its performance in the catalysed process
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SYSNO ASEP 0383629 Document Type J - Journal Article R&D Document Type Journal Article Subsidiary J Článek ve WOS Title Computing the correlation between catalyst composition and its performance in the catalysed process Author(s) Holeňa, Martin (UIVT-O) SAI, RID
Steinfeldt, N. (DE)
Baerns, M. (DE)
Štefka, David (UIVT-O)Source Title Computers and Chemical Engineering. - : Elsevier - ISSN 0098-1354
Roč. 43, 10 August (2012), s. 55-67Number of pages 13 s. Language eng - English Country GB - United Kingdom Keywords catalysed process ; catalyst performance ; correlation measures ; estimating correlation value ; analysis of variance ; regression trees Subject RIV IN - Informatics, Computer Science R&D Projects GA201/08/0802 GA ČR - Czech Science Foundation (CSF) Institutional support UIVT-O - RVO:67985807 UT WOS 000306209600006 EID SCOPUS 84861155099 DOI 10.1016/j.compchemeng.2012.04.001 Annotation The methodology for computing correlations between continuous descriptors of catalytic materials and their performance in the catalysed process is addressed. Continuous descriptors are typically molar fractions of individual components of the catalyst, whereas the performance is represented most frequently by yield or selectivity of reaction products or conversion of key feed components. Measures of various kinds of correlation are recalled, and their descriptor-wise application to catalytic data for computing correlations between the composition and performance of catalysts is presented. The paper also compares the application of correlation measures to catalytic data on the one hand with the analysis of variance, on the other hand with the application of regression trees. As a case study, the presented approaches are applied to data from high-temperature synthesis of hydrocyanic acid. Workplace Institute of Computer Science Contact Tereza Šírová, sirova@cs.cas.cz, Tel.: 266 053 800 Year of Publishing 2013
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