More Like this

1. Dibridged, Monobridged, Vinylidene-Like, and Linear Structures for the Alkaline Earth Dihydrides Be 2 H 2 , Mg 2 H 2 , Ca 2 H 2 , Sr 2 H 2 , and Ba 2 H 2 . Proposals for Observations

   https://doi.org/10.1021/acs.inorgchem.0c01651  

   Narendrapurapu, Beulah S. ; Bowman, Michael C. ; Xie, Yaoming ; Schaefer, Henry F. ; Tkachenko, Nikolay V. ; Boldyrev, Alexander I. ; Li, Guoliang ( August 2020 , Inorganic Chemistry)
2. VUV Photoionization Cross Sections of HO 2 , H 2 O 2 , and H 2 CO

   https://doi.org/10.1021/jp508942a  

   Dodson, Leah G. ; Shen, Linhan ; Savee, John D. ; Eddingsaas, Nathan C. ; Welz, Oliver ; Taatjes, Craig A. ; Osborn, David L. ; Sander, Stanley P. ; Okumura, Mitchio ( February 2015 , The Journal of Physical Chemistry A)
3. 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.

    

   more » « less
4. Branching Ratio for O + H 3 + Forming OH + + H 2 and H 2 O + + H

   https://doi.org/10.3847/1538-4357/ac41ce  

   Hillenbrand, Pierre-Michel ; Ruette, Nathalie de ; Urbain, Xavier ; Savin, Daniel W. ( March 2022 , The Astrophysical Journal)

   Abstract The gas-phase reaction of O + H 3 + has two exothermic product channels: OH + + H 2 and H 2 O + + H. In the present study, we analyze experimental data from a merged-beams measurement to derive thermal rate coefficients resolved by product channel for the temperature range from 10 to 1000 K. Published astrochemical models either ignore the second product channel or apply a temperature-independent branching ratio of 70% versus 30% for the formation of OH + + H 2 versus H 2 O + + H, respectively, which originates from a single experimental data point measured at 295 K. Our results are consistent with this data point, but show a branching ratio that varies with temperature reaching 58% versus 42% at 10 K. We provide recommended rate coefficients for the two product channels for two cases, one where the initial fine-structure population of the O( 3 P J ) reactant is in its J = 2 ground state and the other one where it is in thermal equilibrium. 

   more » « less
5. Ab initio thermal rate coefficients for H + NH 3 ⇌ H 2 + NH 2

   https://doi.org/10.1002/kin.21255  

   Nguyen, Thanh Lam ; Stanton, John F. ( February 2019 , International Journal of Chemical Kinetics)