artículo académico

• Molecular Insights into the Wettability and Adsorption of Acid Gas-Water Mixture.  JOURNAL OF PHYSICAL CHEMISTRY B.  128(15):3764-3774. 2024
• ANALYSIS OF THE MAXIMUM EFFICIENCY AND THE MAXIMUM NET POWER AS OBJECTIVE FUNCTIONS FOR ORGANIC RANKINE CYCLES OPTIMIZATION.  ENTROPY .  25(6). 2023
• IMPROVING THE ACTIVITY OF HORSERADISH PEROXIDASE IN BETAINE-BASED NATURAL DEEP EUTECTIC SYSTEMS.  RSC SUSTAINABILITY.  1(4):886-897. 2023
• SELECTION OF A SUITABLE WORKING FLUID FOR A COMBINED ORGANIC RANKINE CYCLE COUPLED WITH COMPRESSION REFRIGERATION USING MOLECULAR APPROACHES.  FLUID PHASE EQUILIBRIA.  572. 2023
• SEPARATION OF FURFURYL ALCOHOL FROM WATER USING HYDROPHOBIC DEEP EUTECTIC SOLVENTS.  JOURNAL OF MOLECULAR LIQUIDS.  384. 2023
• A RIGOROUS APPROACH FOR CHARACTERISING THE LIMITING OPTIMAL EFFICIENCY OF WORKING FLUIDS IN ORGANIC RANKINE CYCLES.  ENERGY.  254. 2022
• HYDROGEN BOND DONOR AND ALCOHOL CHAIN LENGTH EFFECT ON THE PHYSICOCHEMICAL PROPERTIES OF CHOLINE CHLORIDE BASED DEEP EUTECTIC SOLVENTS MIXED WITH ALCOHOLS.  JOURNAL OF MOLECULAR LIQUIDS.  345. 2022
• IMPROVING THE SEPARATION OF GUAIACOL FROM N-HEXANE BY ADDING CHOLINE CHLORIDE TO GLYCOL EXTRACTING AGENTS.  JOURNAL OF MOLECULAR LIQUIDS.  355. 2022
• INSIGHTS INTO THE ORIENTATION AND HYDROGEN BOND INFLUENCE ON THERMOPHYSICAL AND TRANSPORT PROPERTIES IN CHOLINE-BASED DEEP EUTECTIC SOLVENTS AND METHANOL.  JOURNAL OF MOLECULAR LIQUIDS.  345. 2022
• INTERFACIAL PROPERTIES OF DEEP EUTECTIC SOLVENTS BY DENSITY GRADIENT THEORY.  INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH.  61(6):2580-2591. 2022
• INTERFACIAL PROPERTIES OF FLUORINATED (F)-GASES IN AZEOTROPIC CONDITION.  JOURNAL OF MOLECULAR LIQUIDS.  350. 2022
• OSMOLYTE EFFECT ON ENZYMATIC STABILITY AND REACTION EQUILIBRIUM OF FORMATE DEHYDROGENASE.  PHYSICAL CHEMISTRY CHEMICAL PHYSICS.  24(45):27930-27939. 2022
• SIMULTANEOUS PREDICTION OF VAPOR-LIQUID AND LIQUID-LIQUID PHASE EQUILIBRIA IN SYSTEMS OF IONIC LIQUIDS BELONGING TO [CNMIM][BF4] AND [CNMIM][PF6] FAMILIES BY CP-PC-SAFT AND SAFT-VR-MIE WITH UNIVERSAL KIJ VALUES.  JOURNAL OF MOLECULAR LIQUIDS.  365. 2022
• SOLVENT SELECTION FOR THE EXTRACTION OF 2-PHENYLETHANOL FROM AQUEOUS PHASES: DENSITY AND VISCOSITY STUDIES.  JOURNAL OF CHEMICAL AND ENGINEERING DATA.  67(8):1893-1904. 2022
• SURFACE ANOMALIES IN ETHANOL PLUS N-OCTANE MIXTURE: AN EFFECT OF MOLECULAR ORIENTATIONS AND HYDROGEN BONDS.  JOURNAL OF MOLECULAR LIQUIDS.  361. 2022
• COMPARISON OF CP-PC-SAFT AND SAFT-VR-MIE IN PREDICTING PHASE EQUILIBRIA OF BINARY SYSTEMS COMPRISING GASES AND 1-ALKYL-3-METHYLIMIDAZOLIUM IONIC LIQUIDS.  MOLECULES.  26(21). 2021
• IMPACT OF DEEP EUTECTIC SOLVENTS AND THEIR CONSTITUENTS ON THE AQUEOUS SOLUBILITY OF PHLOROGLUCINOL DIHYDRATE.  JOURNAL OF MOLECULAR LIQUIDS.  344. 2021
• IMPLEMENTATION OF CP-PC-SAFT AND CS-SAFT-VR-MIE FOR PREDICTING THE THERMODYNAMIC PROPERTIES OF C1-C3 HALOCARBON SYSTEMS. II. INTER-RELATION BETWEEN SOLUBILITIES IN IONIC LIQUIDS, THEIR PRESSURE, VOLUME, AND TEMPERATURE, AND CRITICAL CONSTANTS.  INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH.  60(35):13084-13093. 2021
• IMPLEMENTATION OF CP-PC-SAFT AND CS-SAFT-VR-MIE FOR PREDICTING THERMODYNAMIC PROPERTIES OF C1-C3 HALOCARBON SYSTEMS. I. PURE COMPOUNDS AND MIXTURES WITH NONASSOCIATING COMPOUNDS.  INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH.  20(26):9624-9636. 2021
• INTERFACIAL PROPERTIES OF HYDROGEN-METHANE SYSTEM FROM INHOMOGENEOUS FLUID THEORIES.  INTERNATIONAL JOURNAL OF HYDROGEN ENERGY.  46(80):39719-39727. 2021
• ACCURATE AND MODEL-FREE CONTROL FUNCTION FOR A SINGLE STAGE TRANSCRITICAL REFRIGERATOR CYCLE.  ACS OMEGA.  5(30):19217-19226. 2020
• COMPARISON OF SAFT-VR-MIE AND CP-PC-SAFT IN ESTIMATING THE PHASE BEHAVIOR OF ACETONE + N-ALKANE SYSTEMS.  INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH.  59(49):21567-21578. 2020
• EFFECT OF SIZE DISPARITY ON THE GAS-LIQUID INTERFACIAL PROPERTIES OF LENNARD-JONES MONOMER PLUS DIMER MIXTURES.  JOURNAL OF MOLECULAR LIQUIDS.  311. 2020
• ESTIMATION OF THERMODYNAMIC PROPERTIES AND PHASE EQUILIBRIA IN SYSTEMS OF DEEP EUTECTIC SOLVENTS BY PC-SAFT EOS.  INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH.  59:22292-22300. 2020
• MOLECULAR MODELLING TECHNIQUES FOR PREDICTING LIQUID-LIQUID INTERFACIAL PROPERTIES OF METHANOL PLUS ALKANE (N-HEXANE, N-HEPTANE, N-OCTANE) MIXTURES.  PHYSICAL CHEMISTRY CHEMICAL PHYSICS.  22(46):27121-27133. 2020
• COMPARISON OF SAFT-VR-MIE AND CP-PC-SAFT IN PREDICTING PHASE BEHAVIOR OF ASSOCIATING SYSTEMS III. ALIPHATIC HYDROCARBONS - 1-PROPANOL, 1-BUTANOL AND 1-PENTANOL.  JOURNAL OF MOLECULAR LIQUIDS.  279:492-502. 2019
• COMPARISON OF SAFT-VR-MIE AND CP-PC-SAFT IN PREDICTING PHASE BEHAVIOR OF ASSOCIATING SYSTEMS IV. METHANOL-ALIPHATIC HYDROCARBONS.  JOURNAL OF MOLECULAR LIQUIDS.  291:1-12. 2019
• ON THE PHYSICAL INSIGHT INTO THE BAROTROPIC EFFECT IN THE INTERFACIAL BEHAVIOR FOR THE H2O + CO2 MIXTURE.  JOURNAL OF PHYSICAL CHEMISTRY C.  123(46):28123-28130. 2019
• SECOND-ORDER DIFFERENTIAL ACCELERATORS BASED ON THE GEOMETRY OF EQUILIBRIUM FOR THERMODYNAMIC CALCULATIONS. PART I. PURE FLUIDS.  INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH.  58(45):20838-20846. 2019
• THE ADDITIVITY OF SURFACE AND VOLUMETRIC PROPERTIES OF A,¿-DIHALOGENOALKANES.  JOURNAL OF CHEMICAL THERMODYNAMICS.  132:222-228. 2019
• A RIGOROUS AND ACCURATE APPROACH FOR PREDICTING THE WET-TO-DRY TRANSITION FOR WORKING MIXTURES IN ORGANIC RANKINE CYCLES.  ENERGY.  156:509-519. 2018
• COMPARISON OF SAFT-VR MIE AND CP-PC-SAFT IN PREDICTING PHASE BEHAVIOR OF ASSOCIATING SYSTEMS I. AMMONIA-WATER, MEYHANOL, ETHANOL AND HYDRAZINE.  JOURNAL OF MOLECULAR LIQUIDS.  265:639-653. 2018
• COMPARISON OF SAFT-VR-MIE AND CP-PC-SAFT IN PREDICTING PHASE BEHAVIOR OF ASSOCIATING SYSTEMS II. AMMONIA - HYDROCARBONS.  JOURNAL OF MOLECULAR LIQUIDS.  269:657-665. 2018
• INTERFACIAL PROPERTIES OF TETRAHYDROFURAN AND CARBON DIOXIDE MIXTURE FROM COMPUTER SIMULATION.  JOURNAL OF PHYSICAL CHEMISTRY C.  122(28):16142-16153. 2018
• SOME OBSERVATIONS REGARDING THE ASSOCIATION KERNEL OF SAFT-VR-MIE. IS THE MOLECULARLY INSPIRED CONTRIBUTION ALWAYS NECESSARY?.  INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH.  57(46):15869-15883. 2018
• TOWARD DEVELOPMENT OF A UNIVERSAL CP-PC-SAFT-BASED MODELING FRAMEWORK FOR PREDICTING THERMOPHYSICAL PROPERTIES AT RESERVOIR CONDITIONS: INCLUSION OF SURFACE TENSIONS.  INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH.  57(26):8819-8831. 2018
• COARSE-GRAINED THEORETICAL MODELING AND MOLECULAR SIMULATIONS OF NITROGEN PLUS N-ALKANES: (N-PENTANE, N-HEXANE, N-HEPTANE, N-OCTANE).  JOURNAL OF SUPERCRITICAL FLUIDS.  129:83-90. 2017
• MEASUREMENT AND MODELING OF HIGH PRESSURE DENSITY AND INTERFACIAL TENSION OF CARBON DIOXIDE PLUS TETRAHYDROFURAN MIXTURE.  JOURNAL OF SUPERCRITICAL FLUIDS.  128:359-369. 2017
• INTERFACIAL TENSIONS OF INDUSTRIAL FLUIDS FROM A MOLECULAR-BASED SQUARE GRADIENT THEORY.  AICHE JOURNAL.  62(5):1781-1794. 2016
• ON INTERFACIAL PROPERTIES OF TETRAHYDROFURAN: ATOMISTIC AND COARSE-GRAINED MODELS FROM MOLECULAR DYNAMICS SIMULATION.  JOURNAL OF CHEMICAL PHYSICS.  144(14):1-10. 2016
• UNDERSTANDING THE INTERFACIAL BEHAVIOR IN ISOPYCNIC LENNARD-JONES MIXTURES BY COMPUTER SIMULATIONS.  PHYSICAL CHEMISTRY CHEMICAL PHYSICS.  18(2):1114-1124. 2016
• BAROTROPIC PHENOMENA IN BINARY MIXTURES.  FLUID PHASE EQUILIBRIA.  394:175-185. 2015
• HIGH-PRESSURE INTERFACIAL TENSIONS FOR NITROGEN PLUS ETHANOL, OR HEXANE OR 2-METHOXY-2-METHYLBUTANE: A COMPARISON BETWEEN EXPERIMENTAL TENSIOMETRY AND MONTE CARLO SIMULATIONS.  JOURNAL OF SUPERCRITICAL FLUIDS.  89:78-88. 2014