Elena
García Pérez
Investigadora en el periodo 2010-2011
Publicaciones (26) Publicaciones de Elena García Pérez
2022
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Thermostructural Characterization of Silicon Carbide Nanocomposite Materials via Molecular Dynamics Simulations
Advanced Composite Materials, Vol. 31, Núm. 5, pp. 485-504
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Understanding the stability and structural properties of ordered nanoporous metals towards their rational synthesis
Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences, Vol. 478, Núm. 2266
2015
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Thermostructural behaviour of Ni-Cr materials: Modelling of bulk and nanoparticle systems
Physical Chemistry Chemical Physics, Vol. 17, Núm. 24, pp. 15912-15920
2014
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Molecular simulation of gas adsorption and diffusion in a breathing MOF using a rigid force field
Physical Chemistry Chemical Physics, Vol. 16, Núm. 30, pp. 16060-16066
2013
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Effect of the molecular interactions on the separation of nonpolar mixtures using Cu-BTC metal-organic framework
Microporous and Mesoporous Materials, Vol. 165, pp. 79-83
2012
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Understanding gas-induced structural deformation of ZIF-8
Journal of Physical Chemistry Letters, Vol. 3, Núm. 9, pp. 1159-1164
2011
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Effect of air humidity on the removal of carbon tetrachloride from air using Cu-BTC metal-organic framework
Physical Chemistry Chemical Physics
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External surface adsorption on silicalite-1 zeolite studied by molecular simulation
Journal of Physical Chemistry C, Vol. 115, Núm. 31, pp. 15355-15360
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Influence of the sodium and calcium non-framework cations on the adsorption of hexane isomers in zeolite BEA
Theoretical Chemistry Accounts, Vol. 128, Núm. 4, pp. 695-703
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On the performance of cu-btc metal organic framework for carbon tetrachloride gas removal
Chemical Communications, Vol. 47, Núm. 1, pp. 508-510
2010
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A simulation study of hydrogen in metal-organic frameworks
Adsorption Science and Technology, Vol. 28, Núm. 8-9, pp. 823-835
2009
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Identification of adsorption sites in Cu-BTC by experimentation and molecular simulation
Langmuir, Vol. 25, Núm. 3, pp. 1725-1731
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Low-coverage adsorption properties of the metal-organic framework MIL-47 studied by pulse chromatography and Monte Carlo simulations
Physical Chemistry Chemical Physics, Vol. 11, Núm. 18, pp. 3515-3521
2008
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Computing the heat of adsorption using molecular simulations: The effect of strong Coulombic interactions
Journal of Chemical Theory and Computation, Vol. 4, Núm. 7, pp. 1107-1118
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Molecular simulations for adsorption and separation of natural gas in IRMOF-1 and Cu-BTC metal-organic frameworks
Physical Chemistry Chemical Physics, Vol. 10, Núm. 47, pp. 7085-7091
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Unraveling the argon adsorption processes in MFI-type zeolite
Journal of Physical Chemistry C, Vol. 112, Núm. 27, pp. 9976-9979
2007
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A computational method to characterize framework aluminum in aluminosilicates
Angewandte Chemie - International Edition, Vol. 46, Núm. 1-2, pp. 276-278
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A computational study of CO2, N2, and CH4 adsorption in zeolites
Adsorption, Vol. 13, Núm. 5-6, pp. 469-476
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A simulation study of alkanes in Linde Type A zeolites
Adsorption Science and Technology, Vol. 25, Núm. 6, pp. 417-427
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Incorporating the loading dependence of the maxwell-stefan diffusivity in the modeling of CH4 and CO2 permeation across zeolite membranes
Industrial and Engineering Chemistry Research, Vol. 46, Núm. 10, pp. 2974-2986