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1. Reactivity of Cyclopentadienyl Molybdenum Compounds towards Formic Acid: Structural Characterization of CpMo(PMe 3 )(CO) 2 H, CpMo(PMe 3 ) 2 (CO)H, [CpMo(μ-O)(μ-O 2 CH)] 2 , and [Cp*Mo(μ-O)(μ-O 2 CH)] 2

   https://doi.org/10.1021/acs.inorgchem.6b02606  

   Neary, Michelle C. ; Parkin, Gerard ( February 2017 , Inorganic Chemistry)
2. Polyhedral Flexibility in the Sulfido-Capped Cluster H 2 Ru 3 (CO) 9 (μ 3 -S) on Reaction with 2-(Diphenylphosphino)thioanisole (PS) and Reversible Tripodal Rotation of the Chelated PS Ligand in H 2 Ru 3 (CO) 7 (κ 2 -PS)(μ 3 -S)

   https://doi.org/10.1021/acs.organomet.9b00202  

   Mayberry, Darrell D. ; Nesterov, Vladimir N. ; Richmond, Michael G. ( June 2019 , Organometallics)
3. Unprecedented performance of N-doped activated hydrothermal carbon towards C 2 H 6 /CH 4 , CO 2 /CH 4 , and CO 2 /H 2 separation

   https://doi.org/10.1039/C5TA08436A  

   Yuan, Bin ; Wang, Jun ; Chen, Yingxi ; Wu, Xiaofei ; Luo, Hongmei ; Deng, Shuguang ( January 2016 , Journal of Materials Chemistry A)

   A series of N-doped porous carbons with different textural properties and N contents was prepared from a mixture of algae and glucose and their capability for the separation of CO 2 /CH 4 , C 2 H 6 /CH 4 , and CO 2 /H 2 binary mixtures under different conditions (bulk pressure, mixture composition, and temperature) were subsequently assessed in great detail. It was observed that the gas (C 2 H 6 , CO 2 , CH 4 , and H 2 ) adsorption capacity at different pressure regions was primarily governed by different adsorbent parameters (N level, narrow micropore volume, and BET specific surface area). More interestingly, it was found that N-doping can selectively enhance the heats of adsorption of C 2 H 6 and CO 2 , while it had a negligible effect on those of CH 4 and H 2 . The adsorption equilibrium selectivities for separating C 2 H 6 /CH 4 , CO 2 /CH 4 , and CO 2 /H 2 gas mixture pairs on the porous carbons were predicted using the ideal adsorbed solution theory (IAST) based on pure-component adsorption isotherms. In particular, sample NAHA-1 exhibited by far the best performance (in terms of gas adsorption capacity and selectivity) reported for porous carbons for the separation of these three binary mixtures. More significantly, NAHA-1 carbon outperforms many of its counterparts ( e.g. MOFs and zeolites), emphasizing the important role of carbonaceous adsorbents in gas purification and separation. 

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4. Two-component, ab initio potential energy surface for CO 2 —H 2 O, extension to the hydrate clathrate, CO 2 @(H 2 O) 20 , and VSCF/VCI vibrational analyses of both

   https://doi.org/10.1063/1.4994543  

   Wang, Qingfeng ; Bowman, Joel M. ( October 2017 , The Journal of Chemical Physics)
5. Numerical Simulation of a Novel H 2 /O 2 Co-Transport Membrane Reactor for Combined H 2 O/H 2 Removal and Ethylene Production

   https://doi.org/10.1149/1945-7111/acfc6b  

   Shoukry, Yasser M. M. ; Huang, Kevin ; Jin, Xinfang ( October 2023 , Journal of The Electrochemical Society)

   To cut CO₂emissions, we propose to directly convert shale gas into value-added products with a new H₂/O₂co-transport membrane (HOTM) reactor. A Multiphysics model has been built to simulate the membrane and the catalytic bed with parameters obtained from experimental validation. The model was used to compare C2 yield and CH₄conversion rate between the membrane reactor and the state-of-the-art fixed-bed reactor with the same dimensions and operating conditions. The results indicate that (1) the membrane reactor is more efficient in consuming CH₄for a given amount of fed O₂. (2) The C2 selectivity of the membrane reactor is higher due to the gradual addition of O₂into the reactor. (3) The current proposed membrane reactor can have a decent proton molar flux density but most of the proton molar flux will contribute to producing H₂O on the feed side under the current operating conditions. The paper for the first-time projects the performance of the membrane reactor for combined H₂O/H₂removal and C2 production. It could be used as important guidance for experimentalists to design next generation natural gas conversion reactors.

    

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