Results 21 to 30 of about 248,175 (259)
Dissociation of Ozonide in Water [PDF]
The Journal of Physical Chemistry A, 2000 The free energy of bond dissociation for ozonide ion radical is found to be lowered in aqueous solution by about 20 kcal/mol relative to that in the gas phase, based on electronic structure calculations. Explicit treatment of anion−water clusters indicates that the stronger hydrogen bonds to first-shell water molecules formed by O- relative to O3 ...
John Bentley +2 more
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Molecules, 2023 The relationship between structure and reactivity plays a dominant role in water dissociation on the various TiO2 crystallines. To observe the adsorption and dissociation behavior of H2O, the reaction force field (ReaxFF) is used to investigate the ...
He Zhou, Heng Zhang, Shiling Yuan
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Advanced Materials Interfaces, 2023 Electrolyzers for CO2 reduction containing bipolar membranes (BPM) are promising due to low loss of CO2 as carbonates and low product crossover, but improvements in product selectivity, stability, and cell voltage are required.
Bhavin Siritanaratkul +3 more
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Nanomaterials, 2021 The large amounts of natural gas in a dense solid phase stored in the confined environment of porous materials have become a new, potential method for storing and transporting natural gas.
Lihua Wan +6 more
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Dissociation chemistry of hydrogen halides in water [PDF]
The Journal of Chemical Physics, 2004 To understand the mechanism of aqueous acid dissociation, which plays a fundamental role in aqueous chemistry, the ionic dissociation of HX acids (X=F, Cl, Br, and I) in water clusters up to hexamer is examined using density functional theory and Møller–Plesset second-order perturbation methods (MP2).
Odde, S +4 more
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Dissociation of Water on Defective Carbon Substrates [PDF]
Physical Review Letters, 2005 Using calculations from first principles, we found that water can dissociate over defective sites in graphene or nanotubes following many possible reaction pathways, some of which have activation barriers lower than half the value for the dissociation of bulk water. This reduction is caused by spin selection rules that allow the system to remain on the
Kostov, Milen +4 more
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Water Self‐Dissociation is Insensitive to Nanoscale Environments
Angewandte Chemie, 2023 AbstractNanoconfinement effects on water dissociation and reactivity remain controversial, despite their importance to understand the aqueous chemistry at interfaces, pores, or aerosols. The pKw in confined environments has been assessed from experiments and simulations in a few specific cases, leading to dissimilar conclusions.
Solana Di Pino +5 more
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Water Dissociation in the Presence of Metal Ions. [PDF]
ChemInform, 2007 AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
Orkid, Coskuner +2 more
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Numerical study on propagation mechanism and bio-medicine applications of plasma jet
High Voltage, 2016 In this study, the propagation mechanism of plasma jet and some bio-medical applications are investigated by two-dimensional numerical model. The key equations of plasma physics and chemistry related with plasma jet are firstly introduced. The simulation
He Cheng, Xin Liu, Xinpei Lu, Dawei Liu
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KINETIC FEATURES OF MECHANOCHEMICAL DISSOCIATION OF WATER
Известия высших учебных заведений: Нефть и газ, 2016 In this work the hypothesis about the possibility of mechanochemical dissociation of water, subjected to mechanical stress, is experimentally confirmed. In the work the checkout and comparison of data, obtained from the kinetic characteristics of cluster
V. D. Shantarin, M. Yu. Zemenkova
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