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基于Pt/(CrO /ZrO)-HMS的庚烷异构化可靠预测：正则化网络与表面响应方法的比较评估

Reliable prediction of -heptane isomerization over Pt/(CrO /ZrO)-HMS comparative assessment of regularization networks and surface response methodologies.

作者信息

Parsafard Nastaran, Asil Ali Garmroodi, Mirzaei Shohreh

机构信息

Kosar University of Bojnord Iran

Bojnourd University Iran.

出版信息

RSC Adv. 2020 Jul 15;10(44):26034-26051. doi: 10.1039/d0ra04313c. eCollection 2020 Jul 9.

DOI:10.1039/d0ra04313c
PMID:35519732
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC9055328/
Abstract

Novel Pt-Cr/Zr()-HMS catalysts with different molar ratios of Cr/Zr were synthesized. These catalysts were characterized by necessary techniques including XRD, XRF, NH-TPD, FTIR, H chemisorption, nitrogen sorption and TGA. Moreover, generalization performances of an optimized in-house regularization network and an RSM were compared for the prediction of activity and selectivity various molar ratios, feed temperatures and time on stream. The results indicated that the incorporation of Cr promotes the catalyst activity, in which a high amount of 63% conversion was obtained at Cr/Zr = 30 and = 200 °C. Increasing temperature has an adverse effect on i-C and mono plus multi-branch isomer selectivity nearly in all amounts of molar ratios. The best i-C selectivity (66%), MOB (29.6%) and MUB (32%) were observed at 200 °C and Cr/Zr = 30. Although both modeling methods exhibited outstanding performances, statistical analysis revealed that optimized RN has slightly better performances than RSM.

摘要

合成了具有不同Cr/Zr摩尔比的新型Pt-Cr/Zr()-HMS催化剂。采用XRD、XRF、NH-TPD、FTIR、H化学吸附、氮吸附和TGA等必要技术对这些催化剂进行了表征。此外，比较了优化的内部正则化网络和响应曲面法（RSM）在预测不同摩尔比、进料温度和反应时间下的活性和选择性方面的泛化性能。结果表明，Cr的加入促进了催化剂活性，在Cr/Zr = 30和 = 200 °C时，转化率高达63%。几乎在所有摩尔比下，温度升高对异丁烯（i-C）以及单支链和多支链异构体选择性都有不利影响。在200 °C和Cr/Zr = 30时，观察到最佳的异丁烯选择性（66%）、单支链异构体选择性（MOB，29.6%）和多支链异构体选择性（MUB，32%）。虽然两种建模方法都表现出优异的性能，但统计分析表明，优化的正则化网络（RN）的性能略优于响应曲面法（RSM）。

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