Zobrazeno 1 - 10
of 91
pro vyhledávání: '"Lattice density functional theory"'
Publikováno v:
Journal of the American Ceramic Society. 104:4226-4238
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::796d4cad5c3a08c2ca437b7bd8f2afdd
https://doi.org/10.1111/jace.17829
https://doi.org/10.1111/jace.17829
Akademický článek
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Akademický článek
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Autor:
Seyyed A. Hosseini, Sahar Bakhshian
Publikováno v:
Fuel. 241:767-776
Understanding of CO2 adsorption in shale provides significant information about the potential for geological storage of CO2 in shale formations to mitigate the impact of carbon emissions on the climate. This work focuses on the adsorption behavior of
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::63b5aeea5e80491341bc97fee87eb1d6
https://doi.org/10.1016/j.fuel.2018.12.095
https://doi.org/10.1016/j.fuel.2018.12.095
Autor:
Lisa Joss, J. P. Martin Trusler, Junyoung Hwang, Geoffrey C. Maitland, Ronny Pini, Humera Ansari
Understanding supercritical gas adsorption in porous carbons requires consistency between experimental measurements at representative conditions and theoretical adsorption models that correctly account for the solid’s textural properties. We have m
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::53825892e9f956c44b1d76b4a4fb88fa
http://hdl.handle.net/10044/1/82185
http://hdl.handle.net/10044/1/82185
Effect of pore geometry on nitrogen sorption isotherms interpretation: A pore network modeling study
Autor:
Rui Xu, Maša Prodanović
Publikováno v:
Fuel. 225:243-255
Hydrocarbon-bearing tight rocks usually have pores at nanometer scale and permeability below microdarcy range. An effective characterization of the pore structure is essential for understanding hydrocarbon storage and transport behaviors. Nitrogen so
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::7515aba598e93b223d4f1ef035a75c17
https://doi.org/10.1016/j.fuel.2018.03.143
https://doi.org/10.1016/j.fuel.2018.03.143
Autor:
Junyoung Hwang, Ronny Pini
Publikováno v:
Environmental Science & Technology
Clay minerals abound in sedimentary formations and the interaction of reservoir gases with their sub-micron features has direct relevance to many geo-energy applications. The quantification of gas uptake over a broad range of pressures is key towards
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::197e451514250b12fa6265915250e7c4
http://hdl.handle.net/10044/1/73160
http://hdl.handle.net/10044/1/73160
Autor:
J. P. Coe
We propose a lattice density-functional theory for {\it ab initio} quantum chemistry or physics as a route to an efficient approach that approximates the full configuration interaction energy and orbital occupations for molecules with strongly-correl
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::229ff0d52863c71a8c7f066711abf1bf
http://arxiv.org/abs/1902.08516
http://arxiv.org/abs/1902.08516
Publikováno v:
Molecular Physics. 114:2541-2547
In this paper, Lafuente and Cuesta's cluster density functional theory (CDFT) and lattice mean field approximation (LMFA) are formulated and compared within the framework of lattice density functional theory (LDFT). As a comparison, an LDFT based on
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::d574e9d0c5814f6b2a6b38b1fd44581f
https://doi.org/10.1080/00268976.2016.1185549
https://doi.org/10.1080/00268976.2016.1185549
Publikováno v:
International Journal of Coal Geology. 229:103568
Tremendous amount of gas can be adsorbed in shale nanopores as a result of the high surface-to-volume ratio, and capillary condensation might occur in mesopores (2–50 nm) for subcritical gases, leading to sorption hysteresis. However, the sorption
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::f29eebdf05c36688b45d7b21107eced0
https://doi.org/10.1016/j.coal.2020.103568
https://doi.org/10.1016/j.coal.2020.103568