artículo académico

• DENSITY AND VISCOSITY OF LIQUID MIXTURES FORMED BY N-HEXANE, ETHANOL, AND CYCLOPENTYL METHYL ETHER .  JOURNAL OF MOLECULAR LIQUIDS.  359. 2022
• INTERFACIAL BEHAVIOR OF BINARY, TERNARY AND QUATERNARY OIL/WATER MIXTURES DESCRIBED FROM MOLECULAR DYNAMICS SIMULATIONS .  JOURNAL OF MOLECULAR LIQUIDS.  324. 2021
• ZEOLITE-ENCAPSULATED SINGLE-ATOM CATALYSTS FOR EFFICIENT CO2 CONVERSION.  JOURNAL OF CO2 UTILIZATION.  54. 2021
• ASSESSING SALT-SURFACTANT SYNERGISTIC EFFECTS ON INTERFACIAL TENSION FROM MOLECULAR DYNAMICS SIMULATIONS .  JOURNAL OF MOLECULAR LIQUIDS.  299. 2020
• COMBINING SOFT-SAFT AND COSMO-RS MODELING TOOLS TO ASSESS THE CO2 SO2 SEPARATION USING PHOSPHONIUM-BASED IONIC LIQUIDS.  JOURNAL OF MOLECULAR LIQUIDS.  297. 2020
• EFFECT OF NANOPARTICLES IN MOLTEN SALTS - MD SIMULATIONS AND EXPERIMENTAL STUDY .  RENEWABLE ENERGY.  152:208-216. 2020
• PROBING THE INTERFACIAL BEHAVIOR OF TYPE IIIA BINARY MIXTURES ALONG THE THREE-PHASE LINE EMPLOYING MOLECULAR THERMODYNAMICS.  MOLECULES.  25(7). 2020
• TRANSITION METAL ATOMS ENCAPSULATED WITHIN MICROPOROUS SILICALITE-1 ZEOLITE: A SYSTEMATIC COMPUTATIONAL STUDY .  MICROPOROUS AND MESOPOROUS MATERIALS.  308. 2020
• DENSITY FUNCTIONAL THEORY-BASED ADSORPTION ISOTHERMS FOR PURE AND FLUE GAS MIXTURES ON MG-MOF-74. APPLICATION IN CO2 CAPTURE SWING ADSORPTION PROCESSES .  JOURNAL OF PHYSICAL CHEMISTRY C.  122:3945-3957. 2018
• OPTIMAL FAUJASITE STRUCTURES FOR POST COMBUSTION CO2 CAPTURE AND SEPARATION IN DIFFERENT SWING ADSORPTION PROCESSES .  JOURNAL OF CO2 UTILIZATION.  19:100-111. 2017
• FIRST-PRINCIPLES STUDY OF STRUCTURAL, ELASTIC AND ELECTRONIC PROPERTIES OF ALPHA-, BETA- AND GAMMA-GRAPHYNE .  CARBON.  96:879-887. 2016