Ti functionalized hierarchical-pore UiO-66(Zr/Ti) catalyst for the transesterification of phenyl acetate and dimethyl carbonate

2019 ◽  
Vol 43 (43) ◽  
pp. 16981-16989
Author(s):  
Bingying Jia ◽  
Miaojiang Wu ◽  
Hua Zhang ◽  
Yi Zeng ◽  
Gongying Wang
Keyword(s):  
Active Sites ◽  
Dimethyl Carbonate ◽  
Phenyl Acetate ◽  
Diphenyl Carbonate ◽  
Efficient Catalyst ◽  
Hierarchical Pore

Uniformly distributed tetra-coordinated TiIV active sites grafted on hierarchical-pore UiO-66(Zr/Ti) as an efficient catalyst for synthesizing diphenyl carbonate.

Molybdenum Trioxide Catalyst for Transesterification of Dimethyl Carbonate and Phenyl Acetate to Diphenyl Carbonate

2009 ◽  
Vol 30 (9) ◽  
pp. 853-855 ◽  
Author(s):  
Ping CAO ◽  
Xiangui YANG ◽  
Congming TANG ◽  
Jian YANG ◽  
Jie YAO ◽  
...  
Keyword(s):  
Dimethyl Carbonate ◽  
Molybdenum Trioxide ◽  
Phenyl Acetate ◽  
Diphenyl Carbonate

Structure of the Active Sites on H3PO4/ZrO2Catalysts for Dimethyl Carbonate Synthesis from Methanol and Carbon Dioxide

2001 ◽  
Vol 105 (43) ◽  
pp. 10653-10658 ◽  
Author(s):  
Yoshiki Ikeda ◽  
Mohammad Asadullah ◽  
Kaoru Fujimoto ◽  
Keiichi Tomishige
Keyword(s):  
Carbon Dioxide ◽  
Active Sites ◽  
Dimethyl Carbonate

First-Principles DFT Insights into the Mechanisms of CO2 Reduction to CO on Fe (100)-Ni Bimetals

2021 ◽  
Author(s):  
Caroline Kwawu ◽  
Albert Aniagyei ◽  
Destiny Konadu ◽  
Elliot Menkah ◽  
Richard Tia
Keyword(s):  
Carbon Monoxide ◽  
Binding Site ◽  
Active Sites ◽  
Density Functional ◽  
Co2 Reduction ◽  
Density Functional Theory Calculations ◽  
Hydrocarbon Fuel ◽  
Generalized Gradient ◽  
Efficient Catalyst ◽  
Stepped Surface

Abstract Iron and nickel are known active sites in the enzyme carbon monoxide dehydrogenases (CODH) which catalyzes CO2 to CO reversibly. The presence of nickel impurities in the earth abundant iron surface could provide a more efficient catalyst for CO2 degradation into CO, which is a feedstock for hydrocarbon fuel production. In the present study, we have employed spin-polarized dispersion-corrected density functional theory calculations within the generalized gradient approximation to elucidate the active sites on Fe (100)-Ni bimetals. We sort to ascertain the mechanism of CO2 dissociation to carbon monoxide on Ni deposited and alloyed surfaces at 0.25, 0.50 and 1 monolayer (ML) impurity concentrations. CO2 and (CO + O) bind exothermically i.e., -0.87 eV and − 1.51 eV respectively to the bare Fe (100) surface with a decomposition barrier of 0.53 eV. The presence of nickel generally lowers the amount of charge transferred to CO2 moiety. Generally, the binding strengths of CO2 were reduced on the modified surfaces and the extent of its activation was lowered. The barriers for CO2 dissociation increased mainly upon introduction of Ni impurities which is undesired. However, the 0.5 ML deposited (FeNi0.5(A)) surface is promising for CO2 decomposition, providing a lower energy barrier (of 0.32 eV) than the pristine Fe (100) surface. This active 1-dimensional defective FeNi0.5(A) surface provides a stepped surface and Ni-Ni bridge binding site for CO2 on Fe (100). Ni-Ni bridge site on Fe (100) is more effective for both CO2 binding or sequestration and dissociation compared to the stepped surface providing the Fe-Ni bridge binding site.

Aqueous phase conversion of CO2 into acetic acid over thermally transformed MIL-88B

2021 ◽  
Author(s):  
Waqar Ahmad ◽  
Paramita Koley ◽  
Swarit Dwivedi ◽  
Abhijit Shrotri ◽  
Akshat Tanksale
Keyword(s):  
Acetic Acid ◽  
Aqueous Phase ◽  
Carbon Emissions ◽  
Active Sites ◽  
Catalyst Recycling ◽  
Efficient Catalyst ◽  
Co Catalyst ◽  
Net Zero ◽  
Significant Difference ◽  
Zero Carbon

Abstract Sustainable production of acetic acid (AA) is a high priority due to its high global manufacturing capacity and numerous applications. Currently it is predominantly synthesized via carbonylation of methanol, in which both the reactants are fossil-derived. CO2 transformation into AA is highly desirable to achieve net zero carbon emissions, but significant challenges remain to achieve this efficiently. Herein, we report a heterogeneous catalyst, thermally transformed MIL-88B with Fe0 and Fe3O4 dual active sites, for highly selective AA formation via methanol hydrocarboxylation. This efficient catalyst showed high AA yield (590.1 mmol/gcat.L) with 81.7% selectivity at 150°C in aqueous phase using LiI as a co-catalyst. The reaction is believed to proceed via formic acid intermediate. No significant difference in AA yield and selectivity was noticed during catalyst recycling study up to five cycles. This work scalable and industrially relevant for CO2 utilisation to reduce carbon emissions, especially if green methanol and green hydrogen are used.

A green metrics assessment of phosgene and phosgene-free syntheses of industrially important commodity chemicals

2011 ◽  
Vol 84 (3) ◽  
pp. 827-860 ◽  
Author(s):  
John Andraos
Keyword(s):  
Dimethyl Carbonate ◽  
Phenyl Isocyanate ◽  
Diphenyl Carbonate ◽  
Commodity Chemicals ◽  
Methyl Phenyl

Synthesis plans for the following important industrial commodity chemicals using phosgene and phosgene-free chemistries have been analyzed and compared by green metrics to determine the most material-efficient routes so far developed (number of plans given in parentheses): dimethyl carbonate (DMC) (31), diphenyl carbonate (DPC) (40), diphenylurea (DPU) (23), methyl carbamate (MC) (8), methyl chloroformate (MCF) (6), methyl N-phenylcarbamate (MNPC) (25), methyl phenyl carbonate (MPC) (32), phenyl isocyanate (PI) (19), phenyl chloroformate (PCF) (10), and urea (13). Implications of these results are discussed.

Transesterification of dimethyl carbonate with phenol to diphenyl carbonate over V2O5 catalyst

2007 ◽  
Vol 268 (1-2) ◽  
pp. 120-126 ◽  
Author(s):  
Dong-Shen Tong ◽  
Jie Yao ◽  
Yue Wang ◽  
Hong-Ying Niu ◽  
Gong-Ying Wang
Keyword(s):  
Dimethyl Carbonate ◽  
Diphenyl Carbonate ◽  
V2o5 Catalyst

Rational design of atomically dispersed nickel active sites in β-Mo2C for the hydrogen evolution reaction at all pH values

2018 ◽  
Vol 54 (71) ◽  
pp. 9901-9904 ◽  
Author(s):  
Ting Ouyang ◽  
An-Na Chen ◽  
Zhen-Zhao He ◽  
Zhao-Qing Liu ◽  
Yexiang Tong
Keyword(s):  
Synergistic Effect ◽  
Electrochemical Properties ◽  
Hydrogen Evolution ◽  
Hydrogen Evolution Reaction ◽  
Active Sites ◽  
Rational Design ◽  
Efficient Catalyst ◽  
Ph Values ◽  
Ni Species

Atomically dispersed Ni in β-Mo2C (Ni/β-Mo2C) is designed as an efficient catalyst for the HER at all pH values. The remarkable electrochemical properties of Ni/β-Mo2C are mainly attributed to the synergistic effect between atomically dispersed Ni species and β-Mo2C.

ZIF-67-derived Co3O4@carbon protected by oxygen-buffering CeO2 as an efficient catalyst for boosting oxygen reduction/evolution reactions

2019 ◽  
Vol 7 (45) ◽  
pp. 25853-25864 ◽  
Author(s):  
Xuerui Li ◽  
Shijie You ◽  
Jiannan Du ◽  
Ying Dai ◽  
Hun Chen ◽  
...  
Keyword(s):  
Oxygen Reduction ◽  
Active Sites ◽  
Efficient Catalyst

The oxygen-buffering CeO2 effectively protects the available active sites of the ZIF-67-derived Co3O4@carbon to improve oxygen reduction/evolution reaction activities.

scholarly journals Reaction from Dimethyl Carbonate (DMC) to Diphenyl Carbonate (DPC). 2. Kinetics of the Reactions from DMC via Methyl Phenyl Carbonate to DPC

2008 ◽  
Vol 47 (24) ◽  
pp. 9862-9870 ◽  
Author(s):  
J. Haubrock ◽  
W. Wermink ◽  
G. F. Versteeg ◽  
H. A. Kooijman ◽  
R. Taylor ◽  
...  
Keyword(s):  
Dimethyl Carbonate ◽  
Diphenyl Carbonate ◽  
Kinetics Of ◽  
Methyl Phenyl
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