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Colloids and surfaces. A, Physicochemical and engineering aspects, ISSN 0927-7757, 11/2013, Volume 437, pp. 3 - 32
[Display omitted] ► The state-of-the-art DFT methods for adsorption characterization of micro- and mesoporous materials are presented. ► DFT allows for the... 
Microporous | Porous materials | Gas adsorption | Density functional theory | Mesoporous | Pore Size characterization | Hysteresis | Adsorption | Methods | Chemical properties | Surface chemistry | Nanostructure | Porosity | Carbon | Zeolites
Journal Article
Pure and applied chemistry, ISSN 1365-3075, 10/2015, Volume 87, Issue 9-10, pp. 1051 - 1069
Gas adsorption is an important tool for the characterisation of porous solids and fine powders. Major advances in recent years have made it necessary to update... 
IUPAC Physical and Biophysical Chemistry Division; nanostructured materials | Physical Sciences | Chemistry | Chemistry, Multidisciplinary | Science & Technology | Reports | Porosity | Adsorption | Analysis | Pore size | Gas-solid systems | Surface area | Pore size distribution | Methodology | Manuals | Surface chemistry | Assessments | Material chemistry | Chemical Sciences
Journal Article
The Journal of chemical physics, ISSN 1089-7690, 06/2012, Volume 136, Issue 21, pp. 214901 - 214901-15
The polymer translocation into nanopores is generally facilitated by external driving forces, such as electric or hydrodynamic fields, to compensate for... 
Physical Sciences | Chemistry | Physics, Atomic, Molecular & Chemical | Chemistry, Physical | Physics | Science & Technology | Polymers - chemistry | Quantum Theory | Adsorption | Nanopores | Surface Properties | Index Medicus
Journal Article
The Journal of chemical physics, ISSN 1089-7690, 02/2011, Volume 134, Issue 5, pp. 054104 - 054104-8
The self-consistent field theory (SCFT) complemented with the Poisson-Boltzmann equation is employed to explore self-assembly of polyelectrolyte copolymers... 
Physical Sciences | Chemistry | Physics, Atomic, Molecular & Chemical | Chemistry, Physical | Physics | Science & Technology
Journal Article
Journal of Chemical Physics, ISSN 0021-9606, 06/2009, Volume 130, Issue 22, pp. 224103 - 224103-9
The gauge cell Monte Carlo method [ Neimark and Vishnyakov , J. Chem. Phys. 122 , 234108 ( 2005 ) ] for calculations of chemical potential in dense and... 
Physical Sciences | Chemistry | Physics, Atomic, Molecular & Chemical | Chemistry, Physical | Physics | Science & Technology
Journal Article
Journal of physical chemistry. C, ISSN 1932-7447, 12/2010, Volume 114, Issue 50, pp. 22237 - 22244
The use of the osmotic thermodynamic model, combined with a series of methane and carbon dioxide gas adsorption experiments at various temperatures, has... 
C: Surfaces, Interfaces, Catalysis | Physical Sciences | Chemistry | Materials Science | Nanoscience & Nanotechnology | Technology | Materials Science, Multidisciplinary | Science & Technology - Other Topics | Chemistry, Physical | Science & Technology | or physical chemistry | Material chemistry | Chemical Sciences | Theoretical and
Journal Article
Carbon (New York), ISSN 0008-6223, 06/2009, Volume 47, Issue 7, pp. 1617 - 1628
We present a new model of adsorption on micro-mesoporous carbons based on the quenched solid density functional theory (QSDFT). QSDFT quantitatively accounts... 
Physical Sciences | Chemistry | Materials Science | Technology | Materials Science, Multidisciplinary | Chemistry, Physical | Science & Technology | Adsorption | Analysis
Journal Article
The journal of physical chemistry. B, ISSN 1520-6106, 09/2014, Volume 118, Issue 38, pp. 11353 - 11364
By means of dissipative particle dynamics (DPD) and Monte Carlo (MC) simulations, we explored geometrical, transport, and sorption properties of hydrated... 
Physical Sciences | Chemistry | Chemistry, Physical | Science & Technology | Hydration (Chemistry) | Analysis | Cell membranes
Journal Article
Nature (London), ISSN 1476-4687, 11/2015, Volume 527, Issue 7579, pp. 503 - 507
Metal-organic frameworks (MOFs) have a high internal surface area and widely tunable composition(1,2), which make them useful for applications involving... 
Science & Technology - Other Topics | Multidisciplinary Sciences | Science & Technology | Adsorption | Research | Materials science | Pore size
Journal Article
ACS applied materials & interfaces, ISSN 1944-8244, 04/2020, Volume 12, Issue 13, pp. 15595 - 15605
Metal–organic frameworks (MOFs) attract a rapidly growing attention across the disciplines due to their multifarious pore structures and unique ability to... 
Research | Science & Technology - Other Topics | Materials Science | Nanoscience & Nanotechnology | Technology | Materials Science, Multidisciplinary | Science & Technology | Index Medicus
Journal Article
Physical chemistry chemical physics : PCCP, ISSN 1463-9076, 2/2014, Volume 16, Issue 9, pp. 4394 - 4395
... 9 4 of guest gas molecules’’ François-Xavier Coudert,* a Alain H. Fuchs a and Alexander V. Neimark b In a recent paper, 1 Joo et al. report from density... 
Physical Sciences | Chemistry | Physics, Atomic, Molecular & Chemical | Chemistry, Physical | Physics | Science & Technology | or physical chemistry | Material chemistry | Chemical Sciences | Theoretical and
Journal Article
Journal of physical chemistry. C, ISSN 1932-7447, 01/2020, Volume 124, Issue 1, pp. 749 - 755
Potential adsorption theory (PAT) suggested by Polanyi back in 1914 is till date one of the most widely used practical methodologies for the treatment of gas... 
Physical Sciences | Chemistry | Materials Science | Nanoscience & Nanotechnology | Technology | Materials Science, Multidisciplinary | Science & Technology - Other Topics | Chemistry, Physical | Science & Technology
Journal Article