Facultad de Química
Centro
![Foto de Martín](/img/nophoto.png)
Martín
Pérez Rodríguez
Publicaciones en las que colabora con Martín Pérez Rodríguez (35)
2024
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Modeling oceanic sedimentary methane hydrate growth through molecular dynamics simulation
Journal of Chemical Physics, Vol. 160, Núm. 14
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Molecular Simulation of SO2 Separation and Storage Using a Cryptophane-Based Porous Liquid
International Journal of Molecular Sciences, Vol. 25, Núm. 5
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Upper storage-capacity limit and multiple occupancy phenomena in H2-hydroquinone clathrates using Monte Carlo and DFT simulations
Physical Chemistry Chemical Physics, Vol. 26, Núm. 8, pp. 6939-6948
2023
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CO2 hydrates phase behaviour and onset nucleation temperatures in mixtures of H2O and D2O: Isotopic effects
Journal of Molecular Liquids, Vol. 391
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Diffusion and dynamics of noble gases in hydroquinone clathrate channels
Journal of Chemical Physics, Vol. 158, Núm. 4
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Influence of Lennard–Jones Parameters in the Temperature Dependence of Real Gases Diffusion through Nanochannels
Nanomaterials, Vol. 13, Núm. 9
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Molecular Simulation of CO2 and H2 Encapsulation in a Nanoscale Porous Liquid
Nanomaterials, Vol. 13, Núm. 3
2022
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Evaluation of hydrogen storage ability of hydroquinone clathrates using molecular simulations
Journal of Molecular Liquids, Vol. 360
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Ionogels Derived from Fluorinated Ionic Liquids to Enhance Aqueous Drug Solubility for Local Drug Administration
Gels, Vol. 8, Núm. 9
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Molecular simulation of methane hydrate growth confined into a silica pore
Journal of Molecular Liquids, Vol. 362
2021
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Extremely Slow Diffusion of Argon Atoms in Clathrate Cages: Implications for Gas Storage in Solid Materials
ACS Sustainable Chemistry and Engineering, Vol. 9, Núm. 22, pp. 7479-7488
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Molecular dynamics of fluoromethane type I hydrates
Journal of Molecular Liquids, Vol. 339
2020
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Computational simulation of fluorinated methane derivatives in type I clathrate hydrate
Journal of Molecular Liquids, Vol. 314
2019
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Insights into the Crystal Structure and Clathration Selectivity of Organic Clathrates Formed with Hydroquinone and (CO2 + CH4) Gas Mixtures
Journal of Physical Chemistry C, Vol. 123, Núm. 23, pp. 14582-14590
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Three-phase equilibrium curve shift for methane hydrate in oceanic conditions calculated from Molecular Dynamics simulations
Journal of Molecular Liquids, Vol. 274, pp. 426-433
2018
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A description of hydroquinone clathrates using molecular dynamics: Molecular model and crystalline structures for CH4 and CO2 guests
Journal of Chemical Physics, Vol. 148, Núm. 24
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Simulation of Capture and Release Processes of Hydrogen by β-Hydroquinone Clathrate
ACS Omega, Vol. 3, Núm. 12, pp. 18771-18782
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Tailoring nanofluid thermophysical profile through graphene nanoplatelets surface functionalization
ACS Omega, Vol. 3, Núm. 1, pp. 744-752
2017
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Computational study of the hydrolysis of carbonyl sulphide: Thermodynamics and kinetic constants estimation using ab initio calculations
Journal of Chemical Thermodynamics, Vol. 110, pp. 154-161
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Computational study of the interplay between intermolecular interactions and CO2 orientations in type i hydrates
Physical Chemistry Chemical Physics, Vol. 19, Núm. 4, pp. 3384-3393