artículo académico

• Assessment and modeling of the isobaric vapor-liquid-liquid equilibrium for water plus cyclopentyl methyl ether plus alcohol (ethanol or propan-1-ol) ternary mixtures.  JOURNAL OF MOLECULAR LIQUIDS.  397. 2024
• Micellization properties for polyoxyethylene sorbitans in aqueous media.  FLUID PHASE EQUILIBRIA.  575. 2023
• DENSITY AND VISCOSITY OF LIQUID MIXTURES FORMED BY N-HEXANE, ETHANOL, AND CYCLOPENTYL METHYL ETHER .  JOURNAL OF MOLECULAR LIQUIDS.  359. 2022
• DESCRIBING THE ADSORPTION OF SODIUM TRIPOLYPHOSPHATE ON KAOLINITE SURFACES IN A SALINE MEDIUM BY MOLECULAR DYNAMICS.  MINERALS ENGINEERING.  175. 2022
• IMPACT OF MORPHOLOGY ON THE INTERFACIAL TENSION OF LIQUID-LIQUID EQUILIBRIUM INTERFACES IN ASYMMETRIC MIXTURES.  CHEMICAL PHYSICS.  557. 2022
• MOLECULAR DYNAMICS OF LIQUID-LIQUID EQUILIBRIUM AND INTERFACIAL PROPERTIES OF AQUEOUS SOLUTIONS OF METHYL ESTERS.  PHYSICAL CHEMISTRY CHEMICAL PHYSICS.  24(9):5371-5385. 2022
• Prediction of micellar thermodynamics of nonionic surfactants based on the square gradient theory.  LANGMUIR.  38(48):14527-14539. 2022
• Vapor-liquid phase equilibria, liquid densities, liquid viscosities and surface tensions for the ternary n-hexane + cyclopentyl methyl ether + 1-butanol mixture.  FLUID PHASE EQUILIBRIA.  558. 2022
• JOURNAL OF CHEMICAL THERMODYNAMICS.  JOURNAL OF CHEMICAL THERMODYNAMICS.  157. 2021
• MEASUREMENTS AND MODELING FOR THE PHASE EQUILIBRIA FOR THE N-HEXANE + ETHANOL + DIBUTYL ETHER TERNARY MIXTURE AND ITS DIBUTYL ETHER SUB-BINARY MIXTURES AT 94 KPA.  FUEL.  297. 2021
• PHASE EQUILIBRIA AND INTERFACIAL PROPERTIES OF SELECTED METHANE PLUS N-ALKANEBINARY MIXTURES.  JOURNAL OF MOLECULAR LIQUIDS.  341. 2021
• SGTPY: A PYTHON CODE FOR CALCULATING THE INTERFACIAL PROPERTIES OF FLUIDS BASED ON THE SQUARE GRADIENT THEORY USING THE SAFT-VR MIE EQUATION OF STATE.  JOURNAL OF CHEMICAL INFORMATION AND MODELING.  61(3):1244-1250. 2021
• VAPOR-LIQUID EQUILIBRIUM, SURFACE TENSION, AND DYNAMIC VISCOSITY FOR THE PROPAN-1-OL + DIBUTYL ETHER BINARY MIXTURE.  JOURNAL OF CHEMICAL AND ENGINEERING DATA.  66(7):2783-2792. 2021
• A GUIDE TO COMPUTING INTERFACIAL PROPERTIES OF FLUIDS FROM MOLECULAR SIMULATIONS.  LIVING JOURNAL OF COMPUTATIONAL MOLECULAR SCIENCE.  2(1). 2020
• A NOVEL EXPERIMENTAL PROCEDURE TO MEASURE THE BULK MASS DENSITIES AND INTERFACIAL TENSIONS FOR MIXTURES AT VAPOR-LIQUID-LIQUID EQUILIBRIA.  JOURNAL OF CHEMICAL AND ENGINEERING DATA.  65(7):3344-3356. 2020
• ASSESSING SALT-SURFACTANT SYNERGISTIC EFFECTS ON INTERFACIAL TENSION FROM MOLECULAR DYNAMICS SIMULATIONS .  JOURNAL OF MOLECULAR LIQUIDS.  299. 2020
• ISOBARIC VAPOR - LIQUID - LIQUID EQUILIBRIUM FOR WATER + MTBE + ALCOHOL (ETHANOL OR 1-BUTANOL) MIXTURES.  FLUID PHASE EQUILIBRIA.  523. 2020
• ISOBARIC VAPOR-LIQUID EQUILIBRIUM AND ISOTHERMAL SURFACE TENSION FOR HEXANE PLUS CYCLOPENTYL METHYL ETHER BINARY MIXTURE: EXPERIMENTAL DETERMINATIONS AND THEORETICAL PREDICTIONS.  FLUID PHASE EQUILIBRIA.  520. 2020
• MODELLING OF SOLUBILITY OF VITAMIN K3 DERIVATIVES IN SUPERCRITICAL CARBON DIOXIDE USING CUBIC AND SAFT EQUATIONS OF STATE.  JOURNAL OF SUPERCRITICAL FLUIDS.  167:1-6. 2020
• PHASEPY: A PYTHON BASED FRAMEWORK FOR FLUID PHASE EQUILIBRIA AND INTERFACIAL PROPERTIES COMPUTATION.  JOURNAL OF COMPUTATIONAL CHEMISTRY.  41(29):2504-2526. 2020
• PREFERENTIAL ORIENTATIONS AND ANOMALOUS INTERFACIAL TENSIONS IN AQUEOUS SOLUTIONS OF ALCOHOLS.  JOURNAL OF PHYSICAL CHEMISTRY B.  124(38):8388-8401. 2020
• PROBING THE INTERFACIAL BEHAVIOR OF TYPE IIIA BINARY MIXTURES ALONG THE THREE-PHASE LINE EMPLOYING MOLECULAR THERMODYNAMICS.  MOLECULES.  25(7). 2020
• THEORETICAL-EXPERIMENTAL STUDY OF THE INTERFACIAL BEHAVIOUR OF AQUEOUS METHYLESTER MIXTURES AT ATMOSPHERIC PRESSURE.  AFINIDAD.  77(589):4-12. 2020
• VAPOR-LIQUID EQUILIBRIUM AND INTERFACIAL TENSION FOR THE 1-BUTANOL + CYCLOPENTYL METHYL ETHER BINARY MIXTURE.  JOURNAL OF CHEMICAL AND ENGINEERING DATA.  65(8):4142-4146. 2020
• VAPOR-LIQUID EQUILIBRIUM AT 94 KPA AND SURFACE TENSION AT 298.15 K FOR HEXANE PLUS ETHANOL PLUS CYCLOPENTYL METHYL ETHER MIXTURE.  FUEL.  279:1-6. 2020
• VAPOUR-LIQUID PHASE EQUILIBRIA AND INTERFACIAL PROPERTIES OF FATTY ACID METHYL ESTERS FROM MOLECULAR DYNAMICS SIMULATIONS.  PHYSICAL CHEMISTRY CHEMICAL PHYSICS.  22(9):4974-4983. 2020
• EXPERIMENTAL DETERMINATION OF ISOBARIC VAPOR-LIQUID EQUILIBRIUM AND ISOTHERMAL INTERFACIAL TENSIONS FOR THE BINARY ETHANOL + CYCLOPENTYL METHYL ETHER MIXTURE.  JOURNAL OF CHEMICAL AND ENGINEERING DATA.  64(5):1970-1977. 2019
• PHASE EQUILIBRIA AND INTERFACIAL PROPERTIES OF THE TETRAHYDROFURAN + METHANE BINARY MIXTURE FROM EXPERIMENT AND COMPUTER SIMULATION.  JOURNAL OF PHYSICAL CHEMISTRY C.  123(34):20960-20970. 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
• COMBINED EXPERIMENTAL, THEORETICAL, AND MOLECULAR SIMULATION APPROACH FOR THE DESCRIPTION OF THE FLUID-PHASE BEHAVIOR OF HYDROCARBON MIXTURES WITHIN SHALE ROCKS.  ENERGY & FUELS.  32(5):5750-5762. 2018
• DENSITIES AND INTERFACIAL TENSIONS FOR FATTY ACID METHYL ESTERS (FROM METHYL FORMATE TO METHYL HEPTANOATE) + WATER DEMIXED MIXTURES AT ATMOSPHERIC PRESSURE CONDITIONS.  JOURNAL OF CHEMICAL THERMODYNAMICS.  121:121-128. 2018
• EXPERIMENTAL MEASUREMENTS AND THEORETICAL MODELING OF HIGH-PRESSURE MASS DENSITIES AND INTERFACIAL TENSIONS OF CARBON DIOXIDE + N-HEPTANE + TOLUENE AND ITS CARBON DIOXIDE BINARY SYSTEMS.  FUEL.  228:92-102. 2018
• INTERFACIAL PROPERTIES OF TETRAHYDROFURAN AND CARBON DIOXIDE MIXTURE FROM COMPUTER SIMULATION.  JOURNAL OF PHYSICAL CHEMISTRY C.  122(28):16142-16153. 2018
• MEASUREMENT AND MODELING OF ISOBARIC VAPOR - LIQUID EQUILIBRIUM AND ISOTHERMAL INTERFACIAL TENSIONS OF ETHANOL + HEXANE + 2,5 - DIMETHYLFURAN MIXTURE.  FUEL.  229:105-115. 2018
• PREDICTION OF THE WATER/OIL INTERFACIAL TENSION FROM MOLECULAR SIMULATIONS USING THE COARSE-GRAINED SAFT-¿ MIE FORCE FIELD.  FLUID PHASE EQUILIBRIA.  476:9-15. 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
• EXTENSION OF THE SAFT-VR MIE EOS TO MODEL HOMONUCLEAR RINGS AND ITS PARAMETRIZATION BASED ON THE PRINCIPLE OF CORRESPONDING STATES.  LANGMUIR.  33(42):11518-11529. 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
• BOTTLED SAFT: A WEB APP PROVIDING SAFT-¿ MIE FORCE FIELD PARAMETERS FOR THOUSANDS OF MOLECULAR FLUIDS. .  JOURNAL OF CHEMICAL INFORMATION AND MODELING.  56:1609-1614. 2016
• INTERFACIAL TENSIONS OF INDUSTRIAL FLUIDS FROM A MOLECULAR-BASED SQUARE GRADIENT THEORY.  AICHE JOURNAL.  62(5):1781-1794. 2016
• PHASE BEHAVIOUR AND INTERFACIAL PROPERTIES OF TERNARY SYSTEM CO2 + N-BUTANE + N-DECANE: COARSE-GRAINED THEORETICAL MODELLING AND MOLECULAR SIMULATIONS .  MOLECULAR PSYCHIATRY.  114(18):2627-2640. 2016
• SAFT-GAMMA FORCE FIELD FOR THE SIMULATION OF MOLECULAR FLUIDS 6: BINARY AND TERNARY MIXTURES COMPRISING WATER, CARBON DIOXIDE, AND N-ALKANES.  JOURNAL OF CHEMICAL THERMODYNAMICS.  93:320-336. 2016
• UNDERSTANDING THE INTERFACIAL BEHAVIOR IN ISOPYCNIC LENNARD-JONES MIXTURES BY COMPUTER SIMULATIONS.  PHYSICAL CHEMISTRY CHEMICAL PHYSICS.  18(2):1114-1124. 2016
• ATMOSPHERIC DENSITIES AND INTERFACIAL TENSIONS FOR 1-ALKANOL (1-BUTANOL TO 1-OCTANOL) + WATER AND ETHER (MTBE, ETBE, DIPE, TAME AND THP) PLUS WATER DEMIXED MIXTURES.  FLUID PHASE EQUILIBRIA.  396:88-97. 2015
• BAROTROPIC PHENOMENA IN BINARY MIXTURES.  FLUID PHASE EQUILIBRIA.  394:175-185. 2015
• EARLY REGIMES OF WATER CAPILLARY FLOW IN SLIT SILICA NANOCHANNELS.  PHYSICAL CHEMISTRY CHEMICAL PHYSICS.  17:14731-14739. 2015
• COMPREHENSIVE CHARACTERIZATION OF INTERFACIAL BEHAVIOR FOR THE MIXTURE CO2 + H2O + CH4: COMPARISON BETWEEN ATOMISTIC AND COARSE GRAINED MOLECULAR SIMULATION MODELS AND DENSITY GRADIENT THEORY.  JOURNAL OF PHYSICAL CHEMISTRY C.  118:24504-24519. 2014
• EXPERIMENTAL DETERMINATION AND THEORETICAL PREDICTION OF THE VAPOR-LIQUID EQUILIBRIUM AND INTERFACIAL TENSIONS OF THE SYSTEM METHYL-TERT-BUTYL ETHER+2,5-DIMETHYLFURAN.  FUEL.  116:183-190. 2014
• FLUID PHASE EQUILIBRIA.  FLUID PHASE EQUILIBRIA.  361:229-236. 2014
• FLUID PHASE EQUILIBRIA.  FLUID PHASE EQUILIBRIA.  380:82-92. 2014
• FORCE FIELDS FOR COARSE-GRAINED MOLECULAR SIMULATIONS FROM A CORRESPONDING STATES CORRELATION.  INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH.  53(10):4131-4141. 2014
• FUEL.  FUEL.  117:996-1003. 2014
• 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
• JOURNAL CHEMICAL & ENGINEERING DATA 2014
• JOURNAL OF CHEMICAL PHYSICS.  JOURNAL OF CHEMICAL PHYSICS.  141:1-12. 2014
• RESOLVING DISCREPANCIES IN THE MEASUREMENTS OF THE INTERFACIAL TENSION FOR THE CO2 + H2O MIXTURE BY COMPUTER SIMULATION.  JOURNAL OF PHYSICAL CHEMISTRY LETTERS.  5(7):1267-1271. 2014
• COARSE-GRAINED MOLECULAR DYNAMIC SIMULATIONS OF SELECTED THERMOPHYSICAL PROPERTIES FOR 1-BUTYL-3-METHYLIMIDAZOLIUM HEXAFLUOROPHOSPHATE.  JOURNAL OF MOLECULAR LIQUIDS.  186:106-115. 2013
• EXPERIMENTAL DETERMINATION AND THEORETICAL MODELING OF THE VAPOR-LIQUID EQUILIBRIUM AND DENSITIES OF THE BINARY SYSTEM BUTAN-2-OL + TETRAHYDRO-2H-PYRAN.  FLUID PHASE EQUILIBRIA.  342:52-59. 2013
• EXPERIMENTAL DETERMINATION AND THEORETICAL PREDICTION OF THE VAPOR-LIQUID EQUILIBRIUM AND INTERFACIAL TENSIONS OF THE SYSTEM METHYL-TERT-BUTYL ETHER+2,5-DIMETHYLFURAN.  FUEL.  116:183-190. 2013
• FLUID PHASE EQUILIBRIA.  FLUID PHASE EQUILIBRIA.  345:60-67. 2013
• ISOBARIC VAPOR-LIQUID EQUILIBRIUM AND ISOTHERMAL INTERFACIAL TENSIONS FOR THE SYSTEM ETHANOL+2,5-DIMETHYLFURAN.  JOURNAL OF CHEMICAL AND ENGINEERING DATA.  58(11):3226-3232. 2013
• JOURNAL OF CHEMICAL AND ENGINEERING DATA.  JOURNAL OF CHEMICAL AND ENGINEERING DATA.  58:1203-1211. 2013
• EXPERIMENTAL DETERMINATION AND THEORETICAL MODELING OF THE VAPOR-LIQUID EQUILIBRIUM AND SURFACE TENSIONS OF HEXANE + TETRAHYDRO-2H-PYRAN .  FLUID PHASE EQUILIBRIA.  316:55-65. 2012
• JOURNAL OF CHEMICAL AND ENGINEERING DATA.  JOURNAL OF CHEMICAL AND ENGINEERING DATA.  57:561-567. 2012
• JOURNAL OF CHEMICAL AND ENGINEERING DATA.  JOURNAL OF CHEMICAL AND ENGINEERING DATA.  57:2681-2688. 2012
• COMPARISON OF UNITED-ATOM POTENTIALS FOR THE SIMULATION OF VAPOR-LIQUID EQUILIBRIA AND INTERFACIAL PROPERTIES OF LONG-CHAIN N-ALKANES UP TO N-C100.  JOURNAL OF PHYSICAL CHEMISTRY B.  115:12822-12834. 2011
• FLUID PHASE EQUILIBRIA.  FLUID PHASE EQUILIBRIA.  308:15-24. 2011
• INTERFACIAL TENSIONS OF BINARY MIXTURES OF ETHANOL WITH OCTANE, DECANE, DODECANE, AND TETRADECANE.  JOURNAL OF CHEMICAL THERMODYNAMICS.  43:1395-1400. 2011
• JOURNAL OF CHEMICAL AND ENGINEERING DATA.  JOURNAL OF CHEMICAL AND ENGINEERING DATA.  56:2256-2265. 2011
• JOURNAL OF CHEMICAL AND ENGINEERING DATA.  JOURNAL OF CHEMICAL AND ENGINEERING DATA.  56:3142-3148. 2011
• JOURNAL OF CHEMICAL AND ENGINEERING DATA.  JOURNAL OF CHEMICAL AND ENGINEERING DATA.  55:428-434. 2010
• INTERFACIAL PROPERTIES OF ELECTED BINARY MIXTURES CONTAINING N-ALKANES.  FLUID PHASE EQUILIBRIA.  282:68-81. 2009
• AN ACCURATE DIRECT TECHNIQUE FOR PARAMETERIZING CUBIC EQUATIONS OF STATE. PART I. DETERMINING THE COHESION TEMPERATURE FUNCTION IN THE LOW TEMPERATURE RANGE.  FLUID PHASE EQUILIBRIA.  265:63-83. 2008
• AN ACCURATE DIRECT TECHNIQUE FOR PARAMETERIZING CUBIC EQUATIONS OF STATE. PART II. SPECIALIZING MODELS FOR PREDICTING VAPOR PRESSURES AND PHASE DENSITIES.  FLUID PHASE EQUILIBRIA.  265:155-172. 2008
• AN ACCURATE DIRECT TECHNIQUE FOR PARAMETERIZING CUBIC EQUATIONS OF STATE. PART III. APPLICATION OF A CROSSOVER TREATMENT.  FLUID PHASE EQUILIBRIA.  264:201-210. 2008
• FLUID PHASE EQUILIBRIA.  FLUID PHASE EQUILIBRIA.  270:75-86. 2008
• FLUID PHASE EQUILIBRIA.  FLUID PHASE EQUILIBRIA.  273:68-77. 2008
• PHYSICS AND CHEMISTRY OF LIQUIDS.  PHYSICS AND CHEMISTRY OF LIQUIDS.  46:185-200. 2008
• FLUID PHASE EQUILIBRIA.  FLUID PHASE EQUILIBRIA.  255:121-130. 2007
• ASSOCIATION AND MOLECULAR CHAIN LENGTH EFFECTS ON INTERFACIAL BEHAVIOUR.  PHYSICS AND CHEMISTRY OF LIQUIDS.  44:45-59. 2006
• PERFECT WETTING ALONG A THREE-PHASE LINE: THEORY AND MOLECULAR DYNAMICS SIMULATIONS.  JOURNAL OF CHEMICAL PHYSICS.  124:2445051-2445057. 2006
• CORRELATION AND PREDICTION OF INTERFACE TENSION FOR FLUID MIXTURES: AN APPROACH BASED ON CUBIC EQUATIONS OF STATE WITH THE WONG-SANDLER MIXING RULE.  JOURNAL OF PHASE EQUILIBRIA.  26(3):215-224. 2005
• FLUID PHASE EQUILIBRIA.  FLUID PHASE EQUILIBRIA.  227:225-238. 2005
• INTERNATIONAL JOURNAL OF THERMOPHYSICS.  INTERNATIONAL JOURNAL OF THERMOPHYSICS.  26(1):13-29. 2005
• JOURNAL OF CHEMICAL PHYSICS.  JOURNAL OF CHEMICAL PHYSICS.  123:034505-1-034505-10. 2005
• ESTIMATION OF INTERFACIAL BEHAVIOR USING THE GLOBAL PHASE DIAGRAM APPROACH: I. CARBON DIOXIDE-N-ALKANES.  THERMOCHIMICA ACTA.  411:171-176. 2004
• INTERFACIAL BEHAVIOR IN TYPE IV SYSTEMS.  INTERNATIONAL JOURNAL OF THERMOPHYSICS.  25(5):1395-1414. 2004
• JOURNAL OF INDUSTRIAL AND ENGINEERING CHEMISTRY.  JOURNAL OF INDUSTRIAL AND ENGINEERING CHEMISTRY.  43:1895-1896. 2004
• ISOBARIC VAPOR-LIQUID EQUILIBRIA AND DENSITIES FOR THE BINARY SYSTEMS OXALANE + ETHYL 1,1-DIMETHYLETHYL ETHER, OXOLANE + 2-PROPANOL AND PROPAN-2-ONE + TRICHLOROMETHANE.  PHYSICS AND CHEMISTRY OF LIQUIDS.  41:283-301. 2003
• ISOBARIC VAPOR-LIQUID EQUILIBRIA FOR THE TERNARY SYSTEM OXOLANE + ETHYL 1,1-DIMETHYLETHYL ETHER + 2-PROPANOL AT 50 KPA.  PHYSICS AND CHEMISTRY OF LIQUIDS.  41:493-501. 2003
• JOURNAL OF INDUSTRIAL AND ENGINEERING CHEMISTRY.  JOURNAL OF INDUSTRIAL AND ENGINEERING CHEMISTRY.  42:5662-5673. 2003
• ISOBARIC VAPOR-LIQUID EQUILIBRIA AND DENSITIES FOR THE SYSTEM ETHYL 1,1-DIMETHYLETHYL ETHER + 2-PROPANOL.  PHYSICS AND CHEMISTRY OF LIQUIDS.  40:685-702. 2002
• A MODEL-FREE APPROACH DATA TREATMENT OF VAPOR-LIQUID EQUILIBRIUM DATA IN TERNARY SYSTEMS. 1. THEORY AND NUMERICAL PROCEDURES.  JOURNAL OF INDUSTRIAL AND ENGINEERING CHEMISTRY.  40:2134-2148. 2001
• A MODEL-FREE APPROACH DATA TREATMENT OF VAPOR-LIQUID EQUILIBRIUM DATA IN TERNARY SYSTEMS. 2. APPLICATIONS.  JOURNAL OF INDUSTRIAL AND ENGINEERING CHEMISTRY.  40:2149-2159. 2001
• FLUID PHASE EQUILIBRIA.  FLUID PHASE EQUILIBRIA.  166:141-162. 1999