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Grand canonical Monte Carlo and molecular dynamics investigation of hydrogen solubility and diffusivity in nonmetallic polyvinyl chloride, polyethylene and …
D Zheng, J Li, B Yu, Y Yang, Z Huang, Y Zhang, C Liu - Fuel, 2024 - Elsevier
To choose appropriate nonmetallic pipe materials for reducing hydrogen permeation, the
hydrogen permeability in polyvinyl chloride, polyethylene, and polyvinylidene fluoride are …
hydrogen permeability in polyvinyl chloride, polyethylene, and polyvinylidene fluoride are …
Understanding the performance of RHO type zeolite membrane for CH4/N2 separation based on molecular dynamics and deep neural network methods
This study shows a molecular dynamics (MD) simulation study on the performance of the
RHO zeolite membrane for separating nitrogen from methane/nitrogen gas mixtures. The …
RHO zeolite membrane for separating nitrogen from methane/nitrogen gas mixtures. The …
Hydrogen evolution reaction in an alkaline environment through nanoscale Ni, Pt, NiO, Fe/Ni and Pt/Ni surfaces: Reactive molecular dynamics simulation
The use of electrolysis is an important method for generating industrial hydrogen by water
splitting into hydrogen and oxygen. This research outlines how kinetic parameters and the …
splitting into hydrogen and oxygen. This research outlines how kinetic parameters and the …
Theoretical investigation of supramolecular organic framework membranes for hydrogen purification
H Zhang, D Yang, M Guan, J Xu, Q Li, M Cai… - International Journal of …, 2024 - Elsevier
Given that SOF materials have both inorganic and organic properties and are easy to
prepare and structurally designable, this paper carries out the microbehavioral analysis and …
prepare and structurally designable, this paper carries out the microbehavioral analysis and …
Study of supramolecular organic frameworks for purification of hydrogen through molecular dynamics simulations
H Zhang, D Yang, M Guan, Q Li, J Xu, M Cai… - Separation and …, 2024 - Elsevier
The efficiency of proton exchange membrane fuel cells (PEMFCs) is heavily dependent on
hydrogen purity. The production of hydrogen using methanol releases gases such as CO 2 …
hydrogen purity. The production of hydrogen using methanol releases gases such as CO 2 …
Reactive molecular dynamics simulations of nickel-based heterometallic catalysts for hydrogen evolution in an alkaline KOH solution
In recent years, significant attention has been paid to the possible use of hydrogen (H 2) as
a renewable energy source. The formation of H 2, in particular, is appealing by Ni-based …
a renewable energy source. The formation of H 2, in particular, is appealing by Ni-based …
Modeling for Multi-component Gas Permeation with Orthogonal Collocation and Arc-Length Continuation
Many chemical engineering programs teach gas permeation because of its important
applications in the oil and gas industry. In fact, it is considered a good replacement for …
applications in the oil and gas industry. In fact, it is considered a good replacement for …
Kinetics of Hydrogen Penetration into Palladium in Stationary Mode.
EP Feldman, OM Liubymenko - Metallophysics & Advanced …, 2024 - search.ebscohost.com
It is proposed to use the idea of the rate of hydrogen crossing the metal boundary for the
calculation of the hydrogen permeability of palladiumcontaining membranes. The …
calculation of the hydrogen permeability of palladiumcontaining membranes. The …
An Atomic-Scale Investigation of the Temperature Influence on the Reactivity of Alkaline Water Electrolysis on an Optimized Nickel-Iron Catalyst Surface for the …
The temperature influence on the reactivity of alkaline potassium hydroxide (KOH) solution
on a heterometallic NiFe surface was investigated with the aid of ReaxFF potential is …
on a heterometallic NiFe surface was investigated with the aid of ReaxFF potential is …