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A Molecular Dynamics Study of the Adsorption Equilibrium and Density Of Adsorbates
- Source :
- Journal of Structural Chemistry. 59:1952-1959
- Publication Year :
- 2018
- Publisher :
- Pleiades Publishing Ltd, 2018.
-
Abstract
- We consider our variants of applying a molecular dynamics method to quantitatively calculate adsorption isotherms of gases and vapor and their mixtures on microporous active coals in a wide temperature range (lower and higher than the critical one for adsorptives) and the dependence of adsorbate densities on the width of slit-like micropores.
- Subjects :
- Materials science
Solid-state physics
020209 energy
technology, industry, and agriculture
Adsorption equilibrium
Thermodynamics
02 engineering and technology
Microporous material
Atmospheric temperature range
complex mixtures
Condensed Matter::Soft Condensed Matter
Inorganic Chemistry
Condensed Matter::Materials Science
Molecular dynamics
Adsorption
0202 electrical engineering, electronic engineering, information engineering
Materials Chemistry
Physics::Chemical Physics
Physical and Theoretical Chemistry
Subjects
Details
- ISSN :
- 15738779 and 00224766
- Volume :
- 59
- Database :
- OpenAIRE
- Journal :
- Journal of Structural Chemistry
- Accession number :
- edsair.doi...........734b15cd6fa1f905fbbc26eca25c0a05
- Full Text :
- https://doi.org/10.1134/s0022476618080267