Optimizing dense particles for efficient thermochemical fuel generation through a unified particle-level model

文献情報

出版日 2023-11-09

DOI 10.1039/D3TA05437C

インパクトファクター 12.732

著者

Shuai Deng

原文を見る

要旨

Two-step thermochemical H2O/CO2 splitting offers a promising approach to convert intermittent solar energy into storable fuels. However, achieving efficient reaction kinetics in dense particles requires a comprehensive understanding of the bulk diffusion, surface reactions and concentration of local species. In this study, we present a comprehensive 1-D numerical model that accounts for gas–solid mass transfer, surface reactions, and bulk diffusion in reacting particles. The model was validated using previously reported experimental data for CeO2 in the temperature range from 1173 to 1473 K. We used a resistance model to accurately quantify the rate-limiting steps. Our findings indicated that surface kinetics generally represent the primary limiting factor for small particle sizes, and the particles with a radius exceeding 60 μm, undergoing reduction at an oxygen partial pressure equal to 10−8 atm, experience rate limitations due to gas-phase mass transfer. In contrast, under extreme conditions, such as particle radius of 1 cm and diffusion coefficient of less than 10−6 cm2 s−1, bulk diffusion became one of the rate-limiting steps. This comprehensive modeling approach has potential to be applied to other candidate materials in thermochemical cycles, enabling fast material screening and structural designs.

掲載誌

Journal of Materials Chemistry A

CiteScore: 19.5

自己引用率: 4.7%

年間論文数: 2211

Journal of Materials Chemistry A, B & C cover high quality studies across all fields of materials chemistry. The journals focus on those theoretical or experimental studies that report new understanding, applications, properties and synthesis of materials. The journals have a strong history of publishing quality reports of interest to interdisciplinary communities and providing an efficient and rigorous service through peer review and publication. The journals are led by an international team of Editors-in-Chief and Associate Editors who are all active researchers in their fields. Journal of Materials Chemistry A, B & C are separated by the intended application of the material studied. Broadly, applications in energy and sustainability are of interest to Journal of Materials Chemistry A, applications in biology and medicine are of interest to Journal of Materials Chemistry B, and applications in optical, magnetic and electronic devices are of interest to Journal of Materials Chemistry C. More than one Journal of Materials Chemistry journal may be suitable for certain fields and researchers are encouraged to submit their paper to the journal that they feel best fits for their particular article. Example topic areas within the scope of Journal of Materials Chemistry A are listed below. This list is neither exhaustive nor exclusive. Artificial photosynthesis Batteries Carbon dioxide conversion Catalysis Fuel cells Gas capture/separation/storage Green/sustainable materials Hydrogen generation Hydrogen storage Photocatalysis Photovoltaics Self-cleaning materials Self-healing materials Sensors Supercapacitors Thermoelectrics Water splitting Water treatment