Search results
- 1.0540022 - ÚCHP 2022 RIV US eng J - Journal Article
Rezlerová, Eliška - Brennan, J.K. - Lísal, Martin
Methane and carbon dioxide in dual-porosity organic matter: Molecular simulations of adsorption and diffusion.
AIChE Journal. Roč. 67, č. 3 (2021), č. článku e16655. ISSN 0001-1541. E-ISSN 1547-5905
EU Projects: European Commission(XE) 640979 - ShaleXenvironmenT
Institutional support: RVO:67985858
Keywords : CO2 sequestration * grand canonical Monte Carlo * molecular dynamics
OECD category: Physical chemistry
Impact factor: 4.167, year: 2021
Method of publishing: Limited access
Permanent Link: http://hdl.handle.net/11104/0318274File Download Size Commentary Version Access AIChEJ_67_e16655_2021.pdf 0 4.1 MB Publisher’s postprint require - 2.0509982 - ÚCHP 2021 RIV NL eng J - Journal Article
Planková, Barbora - Lísal, Martin
Molecular dynamics of aqueous salt solutions in clay nanopores under the thermodynamic conditions of hydraulic fracturing: Interplay between solution structure and molecular diffusion.
Fluid Phase Equilibria. Roč. 505, FEB 1 (2020), č. článku 112355. ISSN 0378-3812. E-ISSN 1879-0224
EU Projects: European Commission(XE) 640979 - ShaleXenvironmenT
Grant - others:GA MŠk(CZ) LM2015042
Institutional support: RVO:67985858
Keywords : confined stokes-einstein relation * hydrate state * inner-sphere complex
OECD category: Physical chemistry
Impact factor: 2.775, year: 2020
Method of publishing: Limited access
Permanent Link: http://hdl.handle.net/11104/0304459File Download Size Commentary Version Access 0509982.pdf 1 1.8 MB Publisher’s postprint require - 3.0501958 - ÚCHP 2020 RIV NL eng J - Journal Article
Dočkal, J. - Svoboda, Martin - Lísal, Martin - Moučka, Filip
A General Hydrogen Bonding Definition Based on Three-dimensional Spatial Distribution Functions and Its Extension to Quantitative Structural Analysis of Solutions and General Intermolecular Bonds.
Journal of Molecular Liquids. Roč. 281, MAY 1 (2019), s. 225-235. ISSN 0167-7322. E-ISSN 1873-3166
R&D Projects: GA ČR GA17-25100S; GA ČR GA16-02647S
EU Projects: European Commission(XE) 640979 - ShaleXenvironmenT
Grant - others:GA MŠk(CZ) LM2015042
Institutional support: RVO:67985858
Keywords : hydrogen bond * molecular simulation * solution
OECD category: Atomic, molecular and chemical physics (physics of atoms and molecules including collision, interaction with radiation, magnetic resonances, Mössbauer effect)
Impact factor: 5.065, year: 2019
Method of publishing: Limited access
Permanent Link: http://hdl.handle.net/11104/0294044File Download Size Commentary Version Access 0501958.pdf 1 2.4 MB Author’s postprint require - 4.0494925 - ÚCHP 2019 RIV NL eng J - Journal Article
Svoboda, Martin - Moučka, Filip - Lísal, Martin
Saturated Aqueous NaCl Solution and Pure Water in Na-Montmorillonite Clay at Thermodynamic Conditions of Hydraulic Fracturing: Thermodynamics, Structure and Diffusion from Molecular Simulations.
Journal of Molecular Liquids. Roč. 271, DEC (2018), s. 490-500. ISSN 0167-7322. E-ISSN 1873-3166
R&D Projects: GA ČR(CZ) GA16-12291S
EU Projects: European Commission(XE) 640979 - ShaleXenvironmenT
Institutional support: RVO:67985858
Keywords : disjoining pressure * grand canonical Monte Carlo * hydrogen-bond network
OECD category: Physical chemistry
Impact factor: 4.561, year: 2018
Permanent Link: http://hdl.handle.net/11104/0287964File Download Size Commentary Version Access 0494925.pdf 2 2 MB Author’s postprint open-access - 5.0490437 - ÚCHP 2019 RIV US eng J - Journal Article
Moučka, Filip - Kolafa, J. - Lísal, Martin - Smith, W. R.
Chemical Potentials of Alkaline Earth Metal Halide Aqueous Electrolytes and Solubility of Their Hydrates by Molecular Simulation: Application to CaCl2, Antarcticite, and Sinjarite.
Journal of Chemical Physics. Roč. 148, č. 22 (2018), č. článku 222832. ISSN 0021-9606. E-ISSN 1089-7690
EU Projects: European Commission(XE) 640979 - ShaleXenvironmenT
Grant - others:NSERC(CA) STPGP 479466-15
Institutional support: RVO:67985858
Keywords : chemical potential * crystalline materials * electrolytes
OECD category: Physical chemistry
Impact factor: 2.997, year: 2018
Permanent Link: http://hdl.handle.net/11104/0285746File Download Size Commentary Version Access 0490437.pdf 1 1.3 MB Author’s postprint open-access - 6.0486809 - ÚCHP 2019 RIV US eng J - Journal Article
Svoboda, Martin - Lísal, Martin
Concentrated Aqueous Sodium Chloride Solution in Clays at Thermodynamic Conditions of Hydraulic Fracturing: Insight from Molecular Dynamics Simulations.
Journal of Chemical Physics. Roč. 148, č. 22 (2018), č. článku 222806. ISSN 0021-9606. E-ISSN 1089-7690
R&D Projects: GA ČR GA17-25100S
EU Projects: European Commission(XE) 640979 - ShaleXenvironmenT
Institutional support: RVO:67985858
Keywords : aqueous NaCl solutions * hydrogen bond networks * molecular dynamics simulations
OECD category: Physical chemistry
Impact factor: 2.997, year: 2018
Permanent Link: http://hdl.handle.net/11104/0282092File Download Size Commentary Version Access 0486809.pdf 1 7.2 MB Author’s postprint open-access - 7.0484207 - ÚFCH JH 2019 RIV NL eng J - Journal Article
Zukal, Arnošt - Shamzhy, Mariya - Kubů, Martin - Čejka, Jiří
The effect of pore size dimensions in isoreticular zeolites on carbon dioxide adsorption heats.
Journal of CO2 Utilization. Roč. 24, MAR2018 (2018), s. 157-163. ISSN 2212-9820. E-ISSN 2212-9839
R&D Projects: GA ČR GBP106/12/G015
EU Projects: European Commission(XE) 640979 - ShaleXenvironmenT
Institutional support: RVO:61388955
Keywords : UTL zeolite * IPC-n zeolites * Carbon dioxide adsorption
OECD category: Physical chemistry
Impact factor: 5.189, year: 2018
Permanent Link: http://hdl.handle.net/11104/0279339File Download Size Commentary Version Access 0484207.pdf 6 1.2 MB Publisher’s postprint require - 8.0481202 - ÚCHP 2018 RIV US eng J - Journal Article
Rezlerová, Eliška - Zukal, Arnošt - Čejka, Jiří - Siperstein, F.R. - Brennan, J.K. - Lísal, Martin
Adsorption and Diffusion of C1 to C4 Alkanes in Dual-Porosity Zeolites by Molecular Simulations.
Langmuir. Roč. 33, č. 42 (2017), s. 11126-11137. ISSN 0743-7463
R&D Projects: GA ČR(CZ) GA16-12291S
EU Projects: European Commission(XE) 640979 - ShaleXenvironmenT
Institutional support: RVO:67985858 ; RVO:61388955
Keywords : adsorbent interaction * cylindrical mesopores * enhanced transports
OECD category: Physical chemistry; Physical chemistry (UFCH-W)
Impact factor: 3.789, year: 2017
Permanent Link: http://hdl.handle.net/11104/0276802File Download Size Commentary Version Access 0481202.pdf 6 3.5 MB Author’s postprint open-access - 9.0475871 - ÚCHP 2018 RIV GB eng J - Journal Article
Moučka, Filip - Svoboda, Martin - Lísal, Martin
Modelling Aqueous Solubility of Sodium Chloride in Clays at Thermodynamic Conditions of Hydraulic Fracturing by Molecular Simulations.
Physical Chemistry Chemical Physics. Roč. 19, JUL 7 (2017), s. 16586-16599. ISSN 1463-9076. E-ISSN 1463-9084
R&D Projects: GA ČR(CZ) GA16-12291S
EU Projects: European Commission(XE) 640979 - ShaleXenvironmenT
Institutional support: RVO:67985858
Keywords : molecular simulation * Monte Carlo (GCMC) technique * clay pores
OECD category: Physical chemistry
Impact factor: 3.906, year: 2017
Permanent Link: http://hdl.handle.net/11104/0272579File Download Size Commentary Version Access 0475871.pdf 5 4.8 MB Author’s postprint open-access - 10.0475183 - ÚCHP 2018 RIV GB eng J - Journal Article
Michalec, Lukáš - Lísal, Martin
Molecular Simulation of Shale Gas Adsorption onto Overmature Type II Model Kerogen with Control Microporosity.
Molecular Physics. Roč. 115, 9-12 (2017), s. 1086-1103. ISSN 0026-8976. E-ISSN 1362-3028
R&D Projects: GA ČR(CZ) GA16-12291S
EU Projects: European Commission(XE) 640979 - ShaleXenvironmenT
Institutional support: RVO:67985858
Keywords : barnett shale * clay * multiscale kerogen model
OECD category: Physical chemistry
Impact factor: 1.704, year: 2017
Permanent Link: http://hdl.handle.net/11104/0272034File Download Size Commentary Version Access 0475183.pdf 1 16.2 MB Author’s postprint open-access