A modified group contribution method for estimating thermodynamic parameters of methanol-to-olefins over a SAPO-34 catalyst-Reference-Cited by-同舟云学术

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A modified group contribution method for estimating thermodynamic parameters of methanol-to-olefins over a SAPO-34 catalyst

Published:2023 Issue:32 Volume:25 Page:21631-21639
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Yu Junyi¹²,Li Hua¹,Ye Mao¹^ORCID,Liu Zhongmin¹²

Affiliation:

1. National Engineering Laboratory for Methanol-to-Olefins, Dalian National Laboratory for Clean Energy, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, 116023 Dalian, China

2. University of Chinese Academy of Sciences, 10049 Beijing, China

Abstract

A modified group contribution method was established to realize batch calculation of thermodynamic parameters of zeolite catalytic reaction networks.

Funder

National Natural Science Foundation of China

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2023/CP/D3CP01719B

Reference30 articles.

1. Z.Kolska , M.Zabransky and A.Randov , Thermodynamics – Fundamentals and Its Application in Science , IntechOpen , London, UK. , 2012 , ch. 6 10.5772/49998

2. Prediction of Enthalpy of Formation in the Solid State (at 298.15K) Using Second-Order Group Contributions—Part 2: Carbon-Hydrogen, Carbon-Hydrogen-Oxygen, and Carbon-Hydrogen-Nitrogen-Oxygen Compounds

3. An adaptive distance-based group contribution method for thermodynamic property prediction

4. Additivity Rules for the Estimation of Molecular Properties. Thermodynamic Properties

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