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Heterogeneous consecutive reaction kinetics of direct oxidation of H2 to H2O2: Effect and regulation of confined mass transfer
State Key Laboratory of Materials-Oriented and Chemical Engineering, Nanjing Tech University, Nanjing 211816, China.
State Key Laboratory of Materials-Oriented and Chemical Engineering, Nanjing Tech University, Nanjing 211816, China.
State Key Laboratory of Materials-Oriented and Chemical Engineering, Nanjing Tech University, Nanjing 211816, China.
State Key Laboratory of Materials-Oriented and Chemical Engineering, Nanjing Tech University, Nanjing 211816, China.
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2023 (English)In: Chemical Engineering Journal, ISSN 1385-8947, E-ISSN 1873-3212, Vol. 455, article id 140111Article in journal (Refereed) Published
Abstract [en]

Porous catalysts in heterogeneous reactions have played an important role in the modern chemical industry, but it is still challenging to quantitatively describe mass transfer and surface reaction behaviors of reactants in nano-confined space. Direct synthesis of hydrogen peroxide (H2O2) is considered as an attractive alternative to anthraquinone oxidation process, while the confined mass transfer of H2O2 in porous catalysts limits the reactivity. In this work, taking the consecutive reaction of H2O2 synthesis as an example, a quantitative method in modeling the effects of confined mass transfer on the reactivity was studied. More specifically, calorimetry was developed to characterize the confined structures of porous carbon experimentally, the linear nonequilibrium thermodynamics and the statistical mechanics method were further combined. Then, the heterogeneous consecutive reaction kinetics and the Thiele modulus influenced by confined mass transfer were modeled. Consequently, regulation strategies were proposed with the help of theoretical models. The optimized catalyst with biological skeleton carbon support and 0.5 wt% palladium loading shows an excellent catalytic performance. Lastly, for the mesoscience in heterogeneous reaction, the resistance was explored as a quantitative descriptor to compromise in the competition between mass transfer and surface reaction. The mesoscale structures were considered as the dynamic spatiotemporal distribution of substance concentrations, and the resistance minimization multi-scale (RMMS) model was proposed.

Place, publisher, year, edition, pages
Elsevier, 2023. Vol. 455, article id 140111
Keywords [en]
Confined mass transfer, Confined structures, Heterogeneous reaction, Mesoscience, Nonequilibrium thermodynamics, Reaction kinetics
National Category
Energy Engineering
Research subject
Energy Engineering
Identifiers
URN: urn:nbn:se:ltu:diva-95601DOI: 10.1016/j.cej.2022.140111ISI: 000931815700001Scopus ID: 2-s2.0-85143863826OAI: oai:DiVA.org:ltu-95601DiVA, id: diva2:1736343
Note

Validerad;2023;Nivå 2;2023-02-13 (hanlid);

Funder: National Natural Science Foundation of China (91934302, 21838004, 21921006, 21490580, 21978128)

Available from: 2023-02-13 Created: 2023-02-13 Last updated: 2024-03-07Bibliographically approved

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Ji, Xiaoyan

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