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Alexsandro Kirch
Alexsandro Kirch
E-mail confirmado em if.usp.br
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Molecular dynamics simulations of water confined in calcite slit pores: an NMR spin relaxation and hydrogen bond analysis
SM Mutisya, A Kirch, JM De Almeida, VM Sanchez, CR Miranda
The Journal of Physical Chemistry C 121 (12), 6674-6684, 2017
472017
Fresh molecular look at calcite–brine nanoconfined interfaces
A Kirch, SM Mutisya, VM Sánchez, JM De Almeida, CR Miranda
The Journal of Physical Chemistry C 122 (11), 6117-6127, 2018
292018
Brine–oil interfacial tension modeling: Assessment of machine learning techniques combined with molecular dynamics
A Kirch, YM Celaschi, JM de Almeida, CR Miranda
ACS applied materials & interfaces 12 (13), 15837-15843, 2020
222020
CO2 Adsorption Enhanced by Tuning the Layer Charge in a Clay Mineral
KW Bø Hunvik, P Loch, D Wallacher, A Kirch, LP Cavalcanti, M Rieß, ...
Langmuir 37 (49), 14491-14499, 2021
152021
CO2 Capture by Nickel Hydroxide Interstratified in the Nanolayered Space of a Synthetic Clay Mineral
KWB Hunvik, P Loch, LP Cavalcanti, KK Seljelid, PM Røren, S Rudić, ...
The Journal of Physical Chemistry C 124 (48), 26222-26231, 2020
142020
Efficient CH4/CO2 Gas Mixture Separation through Nanoporous Graphene Membrane Designs
N Razmara, A Kirch, JR Meneghini, CR Miranda
Energies 14 (9), 2488, 2021
82021
Influence of CO2 on Nanoconfined Water in a Clay Mineral
KWB Hunvik, RJS Lima, A Kirch, P Loch, P Monceyron Røren, ...
The Journal of Physical Chemistry C 126 (40), 17243-17254, 2022
72022
Multiscale molecular modeling applied to the upstream oil & gas industry challenges
A Kirch, N Razmara, VFS Mamani, JR Meneghini, CR Miranda
Polytechnica 3, 54-65, 2020
72020
Multilevel molecular modeling approach for a rational design of ionic current sensors for nanofluidics
A Kirch, JM de Almeida, CR Miranda
Journal of chemical theory and computation 14 (6), 3113-3120, 2018
62018
Intercalation of CO2 Selected by Type of Interlayer Cation in Dried Synthetic Hectorite
KWB Hunvik, KK Seljelid, D Wallacher, A Kirch, LP Cavalcanti, P Loch, ...
Langmuir 39 (14), 4895-4903, 2023
52023
Large bandgap insulating superior clay nanosheets
B Pacakova, PE Vullum, A Kirch, J Breu, CR Miranda, JO Fossum
MRS Bulletin 47 (12), 1198-1203, 2022
52022
Flow through deformed carbon nanotubes predicted by rigid and flexible water models
BHS Mendonça, EE de Moraes, A Kirch, RJC Batista, AB de Oliveira, ...
The Journal of Physical Chemistry B 127 (40), 8634-8643, 2023
22023
Revisiting greenhouse gases adsorption in carbon nanostructures: advances through a combined first-principles and molecular simulation approach
HM Cezar, TD Lanna, DA Damasceno, A Kirch, CR Miranda
arXiv preprint arXiv:2307.11710, 2023
22023
Propriedades eletrônicas em nanossistemas baseados em nanotubos de carbono e grafeno
A Kirch
Universidade de São Paulo, 2014
22014
Computational design of nanostructures and nanofluidic Systems
D Damasceno, A Kirch, R Rodriguez, R Sanches, J Meneghini, C Miranda, ...
Bulletin of the American Physical Society, 2023
2023
Mechanical and adsorption properties of greenhouse gases filled carbon nanotubes
DA Damasceno, HM Cezar, TD Lanna, A Kirch, CR Miranda
arXiv preprint arXiv:2307.11708, 2023
2023
Revisiting greenhouse gases adsorption in carbon nanostructures: advances through a combined first-principles and molecular simulation approach
H Musseli Cezar, T Duarte Lanna, DA Damasceno, A Kirch, ...
arXiv e-prints, arXiv: 2307.11710, 2023
2023
Unraveling fluid-fluid interfaces through molecular simulations and machine learning
DN Lin, A Kirch, CR Miranda
2022 Goldschmidt Conference, 2022
2022
First principles characterization of the interlayer electrostatic environment influencing the CO2 geochemical trapping in clays
A Kirch, CR Miranda
Goldschmidt2021• Virtual• 4-9 July, 2021
2021
Nanoscale Study of CO2/CH4 Separation through Two-stage Nanoporous Graphene Membranes
N Razmara, A Kirch, D Andrade Damasceno, J Romano Meneghini, ...
APS Division of Fluid Dynamics Meeting Abstracts, J16. 002, 2020
2020
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