Computing the correlation between catalyst composition and its performance in 
the catalysed process

Holeňa, Martin; Steinfeldt, Norbert; Baerns, Manfred; Ŝtefka, David

doi:10.1016/j.compchemeng.2012.04.001

アイテム詳細

登録内容を編集ファイル形式で保存

一時保存へ追加

タグ情報を表示リリース履歴を表示詳細要約

公開

学術論文

Computing the correlation between catalyst composition and its performance in the catalysed process

MPS-Authors

/persons/resource/persons21320

Baerns, Manfred
Inorganic Chemistry, Fritz Haber Institute, Max Planck Society;

External Resource

There are no locators available

Fulltext (restricted access)

There are currently no full texts shared for your IP range.

フルテキスト (公開)

jcim11.pdf
(全文テキスト（全般）), 1000KB

付随資料 (公開)

There is no public supplementary material available

引用

Holeňa, M., Steinfeldt, N., Baerns, M., & Ŝtefka, D. (2012). Computing the correlation between catalyst composition and its performance in the catalysed process. Computers and Chemical Engineering, 43, 55-67. doi:10.1016/j.compchemeng.2012.04.001.

引用: https://hdl.handle.net/11858/00-001M-0000-000F-E69C-2

要旨

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.