Direct synthesis of acetic acid from carbon dioxide and methane over Cu-modulated BEA, MFI, MOR and TON zeolites: a density functional theory study

Sen Wang; Shujia Guo; Yaoya Luo; Zhangfeng Qin; Yanyan Chen; Mei Dong; Junfen Li; Weibin Fan; Jianguo Wang

doi:10.1039/c9cy01803d

Direct synthesis of acetic acid from carbon dioxide and methane over Cu-modulated BEA, MFI, MOR and TON zeolites: a density functional theory study

Catalysis Science & Technology ◽

10.1039/c9cy01803d ◽

2019 ◽

Vol 9 (23) ◽

pp. 6613-6626 ◽

Cited By ~ 4

Author(s):

Sen Wang ◽

Shujia Guo ◽

Yaoya Luo ◽

Zhangfeng Qin ◽

Yanyan Chen ◽

...

Keyword(s):

Carbon Dioxide ◽

Density Functional Theory ◽

Acetic Acid ◽

Density Functional ◽

Direct Synthesis ◽

Direct Conversion ◽

Density Functional Theory Study ◽

Promising Candidate ◽

Functional Theory

Cu-Modulated zeolites can be promising candidate catalysts in the direct conversion of carbon dioxide and methane to acetic acid.

Download Full-text

Density Functional Theory Study of the Direct Conversion of Methane to Acetic Acid by RhCl3

Organometallics ◽

10.1021/om030217c ◽

2003 ◽

Vol 22 (17) ◽

pp. 3513-3525 ◽

Cited By ~ 20

Author(s):

Iordan H. Hristov ◽

Tom Ziegler

Keyword(s):

Density Functional Theory ◽

Acetic Acid ◽

Density Functional ◽

Direct Conversion ◽

Density Functional Theory Study ◽

Functional Theory ◽

Conversion Of Methane

Download Full-text

Carbon dioxide activation and dissociation on ceria (110): A density functional theory study

The Journal of Chemical Physics ◽

10.1063/1.4773248 ◽

2013 ◽

Vol 138 (1) ◽

pp. 014702 ◽

Cited By ~ 90

Author(s):

Zhuo Cheng ◽

Brent J. Sherman ◽

Cynthia S. Lo

Keyword(s):

Carbon Dioxide ◽

Density Functional Theory ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Carbon Dioxide Activation

Download Full-text

Density Functional Theory Study of Decarboxylation and Decarbonylation of Acetic Acid on Pd(111)

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.0c00436 ◽

2020 ◽

Vol 124 (24) ◽

pp. 13082-13093 ◽

Cited By ~ 1

Author(s):

Kingsley C. Chukwu ◽

Líney Árnadóttir

Keyword(s):

Density Functional Theory ◽

Acetic Acid ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory

Download Full-text

Density Functional Theory Study on Carbon Dioxide Absorption into Aqueous Solutions of 2-Amino-2-methyl-1-propanol Using a Continuum Solvation Model

The Journal of Physical Chemistry A ◽

10.1021/jp109851k ◽

2011 ◽

Vol 115 (14) ◽

pp. 3079-3086 ◽

Cited By ~ 74

Author(s):

Hidetaka Yamada ◽

Yoichi Matsuzaki ◽

Takayuki Higashii ◽

Shingo Kazama

Keyword(s):

Carbon Dioxide ◽

Density Functional Theory ◽

Aqueous Solutions ◽

Density Functional ◽

Density Functional Theory Study ◽

Continuum Solvation ◽

Carbon Dioxide Absorption ◽

Solvation Model ◽

Functional Theory ◽

Continuum Solvation Model

Download Full-text

The conversion of CO2 and CH4 to acetic acid over the Au-exchanged ZSM-5 catalyst: a density functional theory study

Physical Chemistry Chemical Physics ◽

10.1039/c2cp42066j ◽

2012 ◽

Vol 14 (48) ◽

pp. 16588 ◽

Cited By ~ 40

Author(s):

Wasinee Panjan ◽

Jakkapan Sirijaraensre ◽

Chompunuch Warakulwit ◽

Piboon Pantu ◽

Jumras Limtrakul

Keyword(s):

Density Functional Theory ◽

Acetic Acid ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory

Download Full-text

Density Functional Theory Study on the Interactions Between Nin (n = 1,…, 6) and Methylamine or Acetic Acid

Journal of Nanoscience and Nanotechnology ◽

10.1166/jnn.2013.7174 ◽

2013 ◽

Vol 13 (6) ◽

pp. 4223-4227

Author(s):

Fadong Wei ◽

Wei Liu ◽

Gang Lv ◽

Hui Jiang ◽

Xuemei Wang

Keyword(s):

Density Functional Theory ◽

Acetic Acid ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory

Download Full-text

Anodic Oxidation of Iodobenzene and Iodobenzoic Acids in Acetic Acid Environment ‐ Electrochemical Investigation and Density Functional Theory Study

ChemElectroChem ◽

10.1002/celc.202101040 ◽

2021 ◽

Author(s):

Tomas Bystron ◽

Balamurugan Devadas ◽

Karel Bouzek ◽

Jan Svoboda ◽

Viola Kolarikova ◽

...

Keyword(s):

Density Functional Theory ◽

Acetic Acid ◽

Anodic Oxidation ◽

Density Functional ◽

Electrochemical Investigation ◽

Density Functional Theory Study ◽

Functional Theory ◽

Acid Environment

Download Full-text

Density functional theory study of acetic acid steam reforming on Ni(111)

Applied Surface Science ◽

10.1016/j.apsusc.2016.12.148 ◽

2017 ◽

Vol 400 ◽

pp. 97-109 ◽

Cited By ~ 12

Author(s):

Yan-Xiong Ran ◽

Zhen-Yi Du ◽

Yun-Peng Guo ◽

Jie Feng ◽

Wen-Ying Li

Keyword(s):

Density Functional Theory ◽

Acetic Acid ◽

Steam Reforming ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory

Download Full-text

Density Functional Theory (DFT) Study To Unravel the Catalytic Properties of M-Exchanged MFI, (M = Be, Co, Cu, Mg, Mn, Zn) for the Conversion of Methane and Carbon Dioxide to Acetic Acid

ACS Catalysis ◽

10.1021/acscatal.7b00844 ◽

2017 ◽

Vol 7 (10) ◽

pp. 6719-6728 ◽

Cited By ~ 27

Author(s):

Brian D. Montejo-Valencia ◽

Yomaira J. Pagán-Torres ◽

María M. Martínez-Iñesta ◽

María C. Curet-Arana

Keyword(s):

Carbon Dioxide ◽

Density Functional Theory ◽

Acetic Acid ◽

Density Functional ◽

Catalytic Properties ◽

Dft Study ◽

Functional Theory ◽

Conversion Of Methane

Download Full-text

Density functional theory study on the thermodynamics and mechanism of carbon dioxide capture by CaO and CaO regeneration

RSC Advances ◽

10.1039/c6ra05152a ◽

2016 ◽

Vol 6 (45) ◽

pp. 39460-39468 ◽

Cited By ~ 18

Author(s):

Ze Sun ◽

Jia Wang ◽

Wei Du ◽

Guimin Lu ◽

Ping Li ◽

...

Keyword(s):

Carbon Dioxide ◽

Density Functional Theory ◽

Bond Length ◽

Density Functional ◽

Carbon Dioxide Capture ◽

Density Functional Theory Study ◽

Functional Theory ◽

Adsorbed Co

The bond length between the C atom in CO2 and O atom in CaO was about 1.39–1.42 Å, and the bond length of C–O in adsorbed CO2 was prolonged to 1.26–1.27 Å, while the O–C–O angle of adsorbed CO2 was about 129°.

Download Full-text