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The atmospheric CO concentration continues a rapid increase to its current record high value of 416 ppm for the time being. It calls for advanced CO capture technologies. One of the attractive technologies is physical adsorption-based separation, which shows easy regeneration and high cycle stability, and thus reduced energy penalties and cost. The extensive research on this topic is evidenced by the growing body of scientific and technical literature. The progress spans from the innovation of novel porous adsorbents to practical separation practices. Major CO capture materials include the most widely used industrially relevant porous carbons, zeolites, activated alumina, mesoporous silica, and the newly emerging metal-organic frameworks (MOFs) and covalent-organic framework (COFs). The key intrinsic properties such as pore structure, surface chemistry, preferable adsorption sites, and other structural features that would affect CO capture capacity, selectivity, and recyclability are first discussed. The industrial relevant variables such as particle size of adsorbents, the mechanical strength, adsorption heat management, and other technological advances are equally important, even more crucial when scaling up from bench and pilot-scale to demonstration and commercial scale. Therefore, we aim to bring a full picture of the adsorption-based CO separation technologies, from adsorbent design, intrinsic property evaluation to performance assessment not only under ideal equilibrium conditions but also in realistic pressure swing adsorption processes.
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http://dx.doi.org/10.1002/cssc.202002677 | DOI Listing |
ACS Cent Sci
August 2025
Department of Chemistry and Biomolecular Sciences, University of Ottawa, 10 Marie Curie Private, Ottawa, Ontario K1N 6N5, Canada.
Metal-organic framework (MOF) materials have attracted significant attention as solid sorbents for low energy CO capture with adsorption-based gas separation processes. In this work, an integrated screening workflow combining a series of atomistic and process simulations was applied to identify promising MOFs for a 4-step pressure-vacuum swing adsorption (P/VSA) process at three different CO flue gas compositions (6%, 15% and 35%). Starting from 55,818 unique experimentally characterized MOFs, ∼19k porous MOFs were investigated via atomistic grand canonical Monte Carlo (GCMC) simulations and machine learning model-based process optimizations to accelerate the screening of a large candidate database.
View Article and Find Full Text PDFJ Am Chem Soc
August 2025
College of Chemistry and Materials Science, Guangdong Provincial Key Laboratory of Supramolecular Coordination Chemistry, Jinan University, Guangzhou 510632, China.
The separation of benzene/cyclohexane represents a crucial yet challenging process in the petrochemical industry, as their azeotropic mixture cannot be effectively separated through simple distillation. Herein, we report a facile kilogram-batch synthesis of a metal-organic framework (JNU-81-A) in a water/ethanol solution at room temperature. When wetted by acetone, JNU-81-A undergoes a single-crystal-to-single-crystal structural evolution, yielding JNU-81-B with altered coordination environments.
View Article and Find Full Text PDFEntropy (Basel)
July 2025
Departamento de Física, Instituto de Física Aplicada, Universidad Nacional de San Luis-CONICET, Ejército de Los Andes 950, San Luis D5700BWS, Argentina.
The statistical mechanics of structured particles with arbitrary size and shape adsorbed onto discrete lattices presents a longstanding theoretical challenge, mainly due to complex spatial correlations and entropic effects that emerge at finite densities. Even for simplified systems such as hard-core linear -mers, exact solutions remain limited to low-dimensional or highly constrained cases. In this review, we summarize the main theoretical approaches developed by our research group over the past three decades to describe adsorption phenomena involving linear -mers-also known as multisite occupancy adsorption-on regular lattices.
View Article and Find Full Text PDFACS Appl Mater Interfaces
July 2025
Key Laboratory of the Ministry of Education for Advanced Catalysis Materials, College of Chemistry and Materials Sciences, Zhejiang Normal University, Jinhua 321004, P. R. China.
Acetylene (CH), a critical chemical feedstock, is indispensable in numerous industrial processes. To satisfy the stringent demands for high-purity acetylene, adsorption-based separation techniques have become highly efficient strategies for purifying acetylene from mixtures containing methane and carbon dioxide. In this study, we introduce a novel cooperative ligand engineering strategy that integrates low-symmetry functionalized auxiliary ligands.
View Article and Find Full Text PDFChem Sci
July 2025
State Key Laboratory of Materials-Oriented Chemical Engineering, College of Chemical Engineering, Nanjing Tech University Nanjing 211816 China
Light olefins, such as ethylene (CH) and propylene (CH), are essential feedstocks for the production of chemical products. However, the current purification strategy of distillation is energy-intensive and results in high carbon emissions. Adsorptive separation, the selective capture of gas from mixtures by porous materials, is considered a promising alternative or transitional technology.
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