The role of Ce doping on the activity of La2O2CO3 nanosheets catalysts in synthesis of dimethyl carbonate from propylene carbonate and methanol

Xue, Yun; Yu, Zairan; Zhai, Shuai; Li, Chengxu; Wei, Xiaoyang; Wang, Fei; Xue, Bing

doi:10.1016/j.catcom.2022.106526

Cited by 4 publications

(2 citation statements)

References 32 publications

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“…In making a comparison of several studies done in the field of production of dimethyl carbonate through the transesterification route, it can be shown that using a meager amount of Pr and without altering the intact structure of the catalyst, the performance of the reaction can be improved in terms of yield and selectivity. Xue et al 41 have used Ce doped on La 2 O 2 CO 3 as a catalyst and have achieved a PC conversion of 85%. Dahiya et al 42 reported a PC conversion of 81.7% with a DMC selectivity of 71.6% using a Ti 0.96 Pr 0.04 catalyst at a temperature of 170 °C.…”

Section: Catalyst Dosementioning

confidence: 99%

Production of Dimethyl Carbonate Using a Zirconium–Praseodymium-Based Catalyst from Methanol and Propylene Carbonate: An Experimental and DFT Study

Dahiya

Kumar

Srivastava

et al. 2023

Ind. Eng. Chem. Res.

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In the presence of specific catalysts made using the coprecipitation approach, methanol and propylene carbonate (PC) react to yield dimethyl carbonate (DMC) as well as propylene glycol (PG) through the transesterification process. The catalytic activity of mixed zirconium and praseodymium oxides (Zr 1−x Pr x O 2 , x = 0.01−0.05), synthesized by coprecipitation, was investigated in this work towards the formation of DMC and PG. The process involves the transesterification of methanol and propylene carbonate to occur in a batch reactor. Numerous methods, including X-ray diffraction (XRD), scanning electron microscopy (SEM), Fourier transform infrared (FTIR) spectroscopy, and CO 2 -TPD have been used to characterize the catalysts. The goal of the study is to ascertain how the combination of praseodymium and zirconium affects the yield and selectivity of DMC. DFT calculations have been performed for the catalytic system. Becke's hybrid three-parameter nonlocal exchange functional (B3), the Lee−Yang−Parr (LYP) correlation functional (B3LYP), and the SDD basis set were all used to optimize the geometries. Zr 0.96 Pr 0.04 O 2 was found to have the best PC conversion (95.9%), while its yield and selectivity were 52.5% and 54.7%, respectively, at 165 °C, methanol/PC ratio = 6.5, and time of 3 h.

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Section: Catalyst Dosementioning

confidence: 99%

Production of Dimethyl Carbonate Using a Zirconium–Praseodymium-Based Catalyst from Methanol and Propylene Carbonate: An Experimental and DFT Study

Dahiya

Kumar

Srivastava

et al. 2023

Ind. Eng. Chem. Res.

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“…Although metal-free heterogeneous catalysts, such as g-C 3 N 4 , can be used in the transesterification reaction of CH 3 OH with EC, the whole reaction system requires high reaction pressures/temperatures and long reaction times and the selectivity of g-C 3 N 4 to the product is low. In contrast, metal-containing heterogeneous catalysts (e.g., NaZSM, CeO 2 , Cu–Zn–Al, Ce-M ( M = Cu, Fe, Co), CeO 2 /ZnO, SrO/CeO 2 , Ca 3 Co 4 O 9 , PS-IMC4IM, CeO 2 nanoparticles, La 2 O 3 , and Ce/La 2 O 2 CO 3 ) perform favorably in transesterification reaction of CH 3 OH with EC because they have a higher abundance of basic sites compared with metal-free heterogeneous catalysts. However, the agglomeration of active species is still a pressing issue for metal-containing heterogeneous catalysts.…”

Section: Introductionmentioning

confidence: 99%

Application of Mesoporous Carbon-Based Highly Dispersed K–O₂ Strong Lewis Base in the Efficient Catalysis of Methanol and Ethylene Carbonate

Hao,

Sun,

Wang

et al. 2024

ACS Appl. Mater. Interfaces

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As an atom-economical reaction, the direct generation of dimethyl carbonate (DMC) and ethylene glycol (EG) via the transesterification of CH 3 OH and ethylene carbonate (EC) has several promising applications, but the exploration of carriers with high specific surface areas and novel heterogeneous catalysts with more basic sites remains a long-standing research challenge. For this purpose, herein, a nitrogen-doped mesoporous carbon (NMC, 439 m 2 /g) based K−O 2 Lewis base catalyst (K− O 2 /NMC) with well-dispersed strongly basic sites (2.23 mmol/g, 84.5%) was designed and synthesized. The compositions and structures of NMC and K−O 2 /NMC were comprehensively investigated via Fourier transform infrared spectroscopy, X-ray diffraction, X-ray photoelectron spectroscopy, scanning electron microscopy, transmission electron microscopy, N 2 adsorption− desorption, CO 2 temperature-programmed desorption, and contact angle measurements. The optimal structural configuration and electron cloud distribution of the K−O 2 /NMC catalyst were simulated using first-principles calculations. The electron transfer predominantly manifested as a flow from K−O to C−O/C−N, and the interatomic interactions between each atom were enhanced and exhibited a tendency for a more stable state after redistribution. Furthermore, the adsorption energies (E ads ) of CH 3 OH at K− O−O and K−O−N sites were −1.4185 eV and −1.3377 eV, respectively, and the O atom in CH 3 OH exhibited a stronger adsorption tendency for the K atom at the K−O−O site. Under the optimal conditions, the EC conversion, DMC/EG selectivity, and turnover number/frequency were 80.9%, 98.6%/99.4%, and 40.5/60.8 h −1 , respectively, with a reaction rate constant (k) of 0.1005 mol/(L•min). Results showed that the heterogeneous K−O 2 /NMC catalyst prepared herein greatly reduced the reaction cost while guaranteeing the catalytic effect, and the whole system required a lower reaction temperature (65 °C), a shorter reaction time (40 min), and a lower catalyst amount (2.0 wt % of EC). Therefore, K−O 2 /NMC can be used as a catalyst in different transesterification reactions.

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Tuning the cross-linked structure of basic poly(ionic liquid) to develop an efficient catalyst for the conversion of vinyl carbonate to dimethyl carbonate

Qi,

Zhong,

et al. 2024

Chinese Journal of Chemical Engineering

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The role of Ce doping on the activity of La2O2CO3 nanosheets catalysts in synthesis of dimethyl carbonate from propylene carbonate and methanol

Cited by 4 publications

References 32 publications

Production of Dimethyl Carbonate Using a Zirconium–Praseodymium-Based Catalyst from Methanol and Propylene Carbonate: An Experimental and DFT Study

Production of Dimethyl Carbonate Using a Zirconium–Praseodymium-Based Catalyst from Methanol and Propylene Carbonate: An Experimental and DFT Study

Application of Mesoporous Carbon-Based Highly Dispersed K–O₂ Strong Lewis Base in the Efficient Catalysis of Methanol and Ethylene Carbonate

Tuning the cross-linked structure of basic poly(ionic liquid) to develop an efficient catalyst for the conversion of vinyl carbonate to dimethyl carbonate

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The role of Ce doping on the activity of La2O2CO3 nanosheets catalysts in synthesis of dimethyl carbonate from propylene carbonate and methanol

Cited by 4 publications

References 32 publications

Production of Dimethyl Carbonate Using a Zirconium–Praseodymium-Based Catalyst from Methanol and Propylene Carbonate: An Experimental and DFT Study

Production of Dimethyl Carbonate Using a Zirconium–Praseodymium-Based Catalyst from Methanol and Propylene Carbonate: An Experimental and DFT Study

Application of Mesoporous Carbon-Based Highly Dispersed K–O2 Strong Lewis Base in the Efficient Catalysis of Methanol and Ethylene Carbonate

Tuning the cross-linked structure of basic poly(ionic liquid) to develop an efficient catalyst for the conversion of vinyl carbonate to dimethyl carbonate

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Application of Mesoporous Carbon-Based Highly Dispersed K–O₂ Strong Lewis Base in the Efficient Catalysis of Methanol and Ethylene Carbonate