A DFT study for in-situ CO2 utilization realized by calcium-looping dry reforming of methane based on Ni/CaCO3

Wang, Feifei; Zhao, Wenhan; Li, Yingjie; Zhang, Chunxiao; He, Zirui

doi:10.1016/j.cej.2024.148940

Cited by 3 publications

(2 citation statements)

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Section: Reactor Setup and Mechanistic Aspectsmentioning

confidence: 99%

“…The reaction mechanism of CO 2 capture and DRM over the most popular Ca-based DFMs involve the following steps: (i) formation of carbonates; (ii) decomposition of CaCO 3 to generate CO 2 ; and (iii) dry reforming of methane using CO 2 . Wang et al used DFT studies to explore the reaction mechanism over Ni/CaCO 3 for ICC-DRM involving in situ CO 2 utilization . The reaction between CH 4 and CaCO 3 was examined with the help of first principles calculations through two mechanistic pathways, one involving CH* and the other being the C*-assisted CaCO 3 dissociation pathway.…”

Section: Reactor Setup and Mechanistic Aspectsmentioning

confidence: 99%

See 1 more Smart Citation

Integrated CO₂ Capture and Dry Reforming of CH₄ to Syngas: A Review

Bhaskaran,

Singh,

Reddy

et al. 2024

Langmuir

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Integrating carbon capture with dry reforming of methane offers a promising approach to addressing greenhouse gas emissions while producing valuable syngas. This review examines the complexities and progress made in this integrated process, wherein catalysts play a critical role in adsorbing carbon dioxide and facilitating the conversion of methane to syngas. The chemical process entails the concurrent capture of CO 2 emissions and their usage in dry reforming, a reaction in which CH 4 interacts with CO 2 to generate syngas, an essential precursor for various industrial applications. The dual-functional materials can adsorb carbon dioxide and actively reform to an end-use application. The much-studied Ca-based sorbents exhibit a theoretical carbon capture capacity of 17.8 mmol g −1 . However, during practical exploration of these materials as a dual-functional catalyst for integrated carbon capture and the dry reforming of methane, the uptake reduces to ∼13 mmol g −1 carbon capacity with 96.5 and 96% conversions of CO 2 and CH 4 , respectively. Therefore, a thorough analysis of the complex relationship between CO 2 capture and CH 4 reforming catalysis is attempted herein based on various reported materials. Design concepts, structural optimization, and performance evaluation analysis of the dual-functional materials reveal their importance in carbon capture and reformation technology. Additionally, this review covers the field difficulties, future perspectives, and attractive commercial implementation predictions. This scrutiny illustrates the significance of dual-functional materials for sustainable energy production and environmental protection.

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Section: Reactor Setup and Mechanistic Aspectsmentioning

confidence: 99%

Section: Reactor Setup and Mechanistic Aspectsmentioning

confidence: 99%