Frederico Wanderley Tavares
Instituição:
Universidade Federal do Rio de Janeiro
Centro:
Centro de Tecnologia
Unidade:
Coordenação dos Programas de Pós-Graduação de Engenharia
Departamento:
Programa de Engenharia Química/COPPE
Formação:
-
University of California System
| Pós-Doutorado | 2002 - 2003
-
University of Delaware
| Pós-Doutorado | 1994 - 1996
-
Universidade Federal do Rio de Janeiro
Engenharia Química | Doutorado | 1988 - 1992
-
Universidade Federal do Rio de Janeiro
Físico-Química | Mestrado | 1981 - 1984
-
Universidade Federal do Rio de Janeiro
Engenharia Quimica | Graduação | 1977 - 1981
Laboratórios:
-
Applied Thermodynamics and Molecular Simulation
Laboratório ATOMS
Nuvens de Palavras:
Artigos:
(95.37% artigos com DOI)
| Titulo | DOI | Ano |
|---|---|---|
| Interaction Between Endocrine Disruptors and Polyethylene Nanoplastic by Molecular Dynamics Simulations | 10.1021/acs.jpcb.3c07966 | 2024 |
| Multiphase flow simulation in offshore pipelines: An accurate and fast algorithm applied to real-field data | 10.1016/j.ces.2022.118438 | 2023 |
| Vapor-liquid equilibria calculations for components of natural gas using Huron-Vidal mixing rules | 10.1007/s43153-023-00301-6 | 2023 |
| Water adsorption on planar interfaces: Classical density functional study | 10.1016/j.fluid.2022.113567 | 2023 |
| A unified interaction model for multiphase flows with the lattice Boltzmann method | 10.1002/cjce.24604 | 2023 |
| Tween-80 on Water/Oil Interface: Structure and Interfacial Tension by Molecular Dynamics Simulations | 10.1021/acs.langmuir.2c03001 | 2023 |
| Phase Equilibrium Determination of the Binary System Globalide-+-Pressured Propane: Experiments and Thermodynamic Modeling | 10.1016/j.fluid.2023.113855 | 2023 |
| Adsorption-induced deformation of nanoporous carbons: Insight from classical density functional theory based on the PC-SAFT equation of state | 10.1016/j.fluid.2023.113882 | 2023 |
| Classical density functional theory reveals structural information of H2 and CH4 fluids adsorbed in MOF-5 | 10.1016/j.fluid.2023.113887 | 2023 |
| Revisiting the pseudo-supercritical path method: An improved formulation for the alchemical calculation of solid-liquid coexistence | 10.1063/5.0163564 | 2023 |
| A Nonequilibrium Chemical Affinity-Based Hydrate Growth Model: Applied to the CH 4 Hydrate | 10.1021/acs.jced.3c00280 | 2023 |
| Charge Inversion in 1:1 Electrolytes: Analyzing the Energetics | 10.1021/acs.jpcb.3c00436 | 2023 |
| A parallel hybrid model for integrating protein adsorption models with deep neural networks | 10.1007/s10450-023-00415-w | 2023 |
| A consistent framework to characterize the impact of co-solvents in the key process thermophysical properties of choline chloride-based DESs | 10.1016/j.jiec.2023.11.021 | 2023 |
| Correction to -Helmholtz Scaling: An Alternative Approach to Calculate Viscosity with the PCP-SAFT Equation of State- | 10.1021/acs.iecr.3c03599 | 2023 |
| A molecular simulation study of ethoxylated surfactant effects on bulk and water/crude-oil interfacial asphaltenes | 10.1016/j.fluid.2023.113925 | 2023 |
| PCP-SAFT Density Functional Theory as a much-improved approach to obtain confined fluid isotherm data applied to sub and supercritical conditions | 10.1016/j.ces.2021.116905 | 2022 |
| Physical-Chemical Properties of Compressible Clathrates: A Natural Pressure Shift by Extending the van der Waals and Platteeuw Model | 10.1021/acs.jpcc.1c09715 | 2022 |
| A First Approach towards Adsorption-Oriented Physics-Informed Neural Networks: Monoclonal Antibody Adsorption Performance on an Ion-Exchange Column as a Case Study | 10.3390/chemengineering6020021 | 2022 |
| Are all-atom any better than united-atom force fields for the description of liquid properties of alkanes? 2. A systematic study considering different chain lengths | 10.1016/j.molliq.2022.118829 | 2022 |
| Improvement of black oil delumping method applied to an offshore oil field | 10.1016/j.petrol.2022.110514 | 2022 |
| Synthesis of polyglobalide by enzymatic ring opening polymerization using pressurized fluids | 10.1016/j.supflu.2022.105588 | 2022 |
| Revisiting the birth of NaCl crystals using molecular dynamics simulation | 10.1016/j.jmgm.2022.108202 | 2022 |
| Adsorption of Praziquantel Enantiomers on Chiral Cellulose tris 3-chloro, 4-methylphenylcarbamate by Frontal Analysis: Fisherian and Bayesian Parameter Estimation and Inference | 10.1016/j.chroma.2022.463200 | 2022 |
| A molecular study on the behavior of polyethoxylated alkyl ethers surfactants in a water/n-alkane interface | 10.1016/j.colsurfa.2022.129627 | 2022 |
| Pollution caused by nanoplastics: adverse effects and mechanisms of interaction via molecular simulation | 10.7717/peerj.13618 | 2022 |
| The impact of the adsorbent energy heterogeneities by multidimensional-multicomponent PC-SAFT-DFT | 10.1016/j.fluid.2022.113546 | 2022 |
| Real Electrolyte Solutions in the Functionalized Mean Spherical Approximation: A Density Functional Theory for Simple Electrolyte Solutions | 10.1021/acs.jpcb.2c00816 | 2022 |
| A New Formulation for the Concerted Alchemical Calculation of van der Waals and Coulomb Components of Solvation Free Energies | 10.1021/acs.jctc.2c00563 | 2022 |
| Molecular simulation of the structural and thermodynamic properties of n-alkane/brine interfacial systems with nonionic surfactants | 10.1016/j.colsurfa.2022.130301 | 2022 |
| Photochemical reactor for selective hydrogenation of asphaltene molecules at room temperature in absence of a catalyst | 10.1007/s43153-022-00288-6 | 2022 |
| Molecular Dynamics Study of Thermophysical and Mechanical Properties in Hydrated Lignin with Compositions Close to Softwood | 10.1021/acssuschemeng.2c05264 | 2022 |
| Finding preferential paths by numerical simulations of reactive non-darcy flow through porous media with the Lattice Boltzmann method | 10.1007/s43153-022-00286-8 | 2022 |
| Liquid-liquid equilibria of ternary mixtures of methanol-+- |
10.1002/cjce.24725 | 2022 |
| Molecular Thermodynamics for Aggregation of Surfactants with Alkylbenzene or Branched Alkane Tails: An Experimental-Modeling Approach | 10.1016/j.fluid.2020.112918 | 2021 |
| Fick diffusion coefficients via molecular dynamics: An alternative approach in the Fourier domain | 10.1016/j.molliq.2021.115460 | 2021 |
| Asphaltenes at the water-oil interface using DPD/COSMO-SAC | 10.1016/j.colsurfa.2021.126828 | 2021 |
| Molecular dynamics of dissolution of a 36-chain cellulose Iβ microfibril at different temperatures above the critical pressure of water | 10.1016/j.molliq.2021.116271 | 2021 |
| A self-consistent perturbative density functional theory for hard-core fluids: phase diagrams, structural and interfacial properties | 10.1016/j.fluid.2021.113095 | 2021 |
| Helmholtz Scaling: An Alternative Approach to Calculate Viscosity with the PCP-SAFT Equation of State | 10.1021/acs.iecr.1c00837 | 2021 |
| Exploring the multiple solutions of the classical density functional theory using metadynamics based method | 10.1007/s10450-021-00327-7 | 2021 |
| The binding interaction of protein on a charged surface using Poisson-Boltzmann equation: lysozyme adsorption onto SBA-15 | 10.1007/s10450-021-00344-6 | 2021 |
| A new high-pressure cell for equilibrium measurements of systems with fluid and solid phases | 10.1016/j.supflu.2021.105420 | 2021 |
| Sorption-desorption, surface diffusion, and memory effects in a 3D system | 10.1088/1742-5468/ac2a9d | 2021 |
| Self-diffusion coefficients of methane/n-hexane mixtures at high pressures: An evaluation of the finite-size effect and a comparison of force fields | 10.1016/j.supflu.2019.104639 | 2020 |
| Renormalization group theory applied to the CPA equation of state: Impacts on phase equilibrium and derivative properties | 10.1016/j.fluid.2019.112365 | 2020 |
| Concentration and Solvent Effects on Structural, Dynamical, and Rheological Properties of Asphaltene Suspensions | 10.1021/acs.energyfuels.9b03315 | 2020 |
| A computational tool for parameter estimation in EoS: New methodologies and natural gas phase equilibria calculations | 10.1016/j.ces.2019.115437 | 2020 |
| Phase behavior of systems with high CO2 content: Experiments and thermodynamic modeling | 10.1016/j.fluid.2020.112574 | 2020 |
| Current status of Lattice Boltzmann Methods applied to aerodynamic, aeroacoustic, and thermal flows | 10.1016/j.paerosci.2020.100616 | 2020 |
| Thermophysical Properties of Amorphous-Paracrystalline Celluloses by Molecular Dynamics | 10.1002/mats.202000007 | 2020 |
| Microscope analysis and evaluation of the destabilization process of water-in-oil emulsions under application of electric field | 10.1109/tdei.2020.008494 | 2020 |
| Development of Coalescence and Capture Kernels for the Electrocoalescence Process Based on Batch Experiments | 10.1021/acs.iecr.9b04165 | 2020 |
| Inferring kinetic dissolution of |
10.1002/cjce.23774 | 2020 |
| Anomalous diffusion and sorption-desorption process in complex fluid systems | 10.1016/j.cnsns.2020.105411 | 2020 |
| Phase Equilibria Data and Thermodynamic Analysis for Liquid-Hydrate-Vapor (LHV) with High Ethanol Concentrations | 10.1021/acs.jced.9b00691 | 2020 |
| Quenched solid density functional theory coupled with PC-SAFT for the adsorption modeling on nanopores | 10.1016/j.fluid.2020.112700 | 2020 |
| Experimental high-pressure phase equilibria of carbon dioxide / n-alkanes mixtures and model-parameters for solid-phase obtained from DSC thermograms | 10.1016/j.fluid.2020.112802 | 2020 |
| Are all-atom any better than united-atom force fields for the description of liquid properties of alkanes? | 10.1007/s00894-020-04548-5 | 2020 |
| Sixty Years of the van der Waals and Platteeuw Model for Clathrate Hydrates-A Critical Review from Its Statistical Thermodynamic Basis to Its Extensions and Applications | 10.1021/acs.chemrev.0c00494 | 2020 |
| Modified clustering algorithm for molecular simulation | 10.1080/08927022.2020.1839661 | 2020 |
| Wettability of rock, oil and brine system based on density functional theory | 10.1016/j.fluid.2018.09.019 | 2019 |
| A molecular dynamics study of the solvation of carbon dioxide and other compounds in the ionic liquids [emim][B(CN)4] and [emim][NTf2] | 10.1016/j.fluid.2019.03.007 | 2019 |
| Amorphous paracrystalline structures from native crystalline cellulose: A molecular dynamics protocol | 10.1016/j.fluid.2019.03.011 | 2019 |
| Pore size distributions from extended Peng-Robinson equations of state for fluids confined in cylindrical and slit pores | 10.1016/j.fluid.2019.04.007 | 2019 |
| Reconstruction of the pore size distribution of porous materials: The influence of uncertainties in the gaseous adsorption experimental data | 10.1016/j.fluid.2019.04.028 | 2019 |
| Wax appearance and prevention in two-phase flow using the multi-solid and drift-flux model | 10.1016/j.petrol.2019.02.057 | 2019 |
| Electro-rheological investigation on W/O emulsions morphology under electric fields | 10.1080/01932691.2019.1626245 | 2019 |
| Lattice Boltzmann Methods for Industrial Applications | 10.1021/acs.iecr.9b02008 | 2019 |
| Adsorption of Gases on Zeolitic Imidazolate Frameworks: Modeling with Equations of State for Confined Fluids and Pore Size Distribution Estimation | 10.1021/acs.iecr.9b05221 | 2019 |
| Accurate thermodynamic description of vapor-liquid and solid-liquid equilibria of THF, water and gas hydrates with a unique set of parameters | 10.1016/j.jct.2017.08.003 | 2018 |
| Emulsion phase inversion of model and crude oil systems detected by near-infrared spectroscopy and principal component analysis | 10.1016/j.colsurfa.2017.11.028 | 2018 |
| A modified Poisson-Boltzmann equation applied to protein adsorption | 10.1016/j.chroma.2017.11.022 | 2018 |
| High pressure phase equilibria of carbon dioxide + n-alkanes mixtures: Experimental data and modeling | 10.1016/j.fluid.2018.01.029 | 2018 |
| A new simple and efficient flash algorithm for T-v specifications | 10.1016/j.fluid.2018.02.019 | 2018 |
| Phenomenological modeling for elemental mercury capture on hydroxyapatite-based adsorbents: An experimental validation | 10.1016/j.fuel.2018.03.177 | 2018 |
| Cubic equations of state extended to confined fluids: New mixing rules and extension to spherical pores | 10.1016/j.ces.2018.03.047 | 2018 |
| Paraffin solubility curves of diesel fuels from thermodynamic model adjusted through experimental DSC thermograms | 10.1016/j.fuel.2018.05.063 | 2018 |
| Laser-induced alteration of microstructural and microscopic transport properties in porous materials: Experiment, modeling and analysis | 10.1016/j.matdes.2018.06.002 | 2018 |
| Cascaded Lattice Boltzmann Method application in forced and natural convection | 10.1088/1742-6596/1101/1/012040 | 2018 |
| Natural convection heat transfer modeling by the cascaded thermal lattice Boltzmann method | 10.1016/j.ijthermalsci.2018.08.033 | 2018 |
| Laser-induced wettability alteration in limestone rocks | 10.1016/j.mtcomm.2018.09.012 | 2018 |
| Representative elementary volume in limestone sample | 10.1088/1748-0221/13/10/c10003 | 2018 |
| CHEMICAL POTENTIALS OF HARD-CORE MOLECULES BY A STEPWISE INSERTION METHOD | 10.1590/0104-6632.20180352s20160276 | 2018 |
| Crude Oil Electrical Conductivity Measurements at High Temperatures: Introduction of Apparatus and Methodology | 10.1021/acs.energyfuels.6b03237 | 2017 |
| New Cascaded Thermal Lattice Boltzmann Method for simulations of advection-diffusion and convective heat transfer | 10.1016/j.ijthermalsci.2017.04.020 | 2017 |
| Stability studies of high-stable water-in-oil model emulsions | 10.1080/01932691.2016.1144195 | 2017 |
| Development of an AMBER-compatible transferable force field for poly(ethylene glycol) ethers (glymes) | 10.1007/s00894-017-3355-3 | 2017 |
| Paraffin solubility and calorimetric data calculation using Peng-Robinson EoS and modified UNIQUAC models | 10.1016/j.petrol.2017.06.064 | 2017 |
| Phase Behavior Data of (CO 2 + Toluene + Phenanthrene) and (CO 2 + (Methanol + Phenanthrene) Systems at High Pressure | 10.1021/acs.jced.7b00126 | 2017 |
| Effect of electrostatic correlations on micelle formation | 10.1016/j.colsurfa.2017.07.079 | 2017 |
| Heat of dissociation from Statistical Thermodynamics: Using calorimetric data to estimate gas hydrate parameters | 10.1016/j.jct.2017.08.005 | 2017 |
| Molecular dynamics simulation and experimental validation by X-ray data of hydroxyapatite crystalline structures | 10.1016/j.fluid.2017.11.007 | 2017 |
| Evaluation of Microwave and Conventional Heating for Electrostatic Treatment of a Water-in-Oil Model Emulsion in a Pilot Plant | 10.1021/acs.energyfuels.7b00275 | 2017 |
| Machine learning model and optimization of a PSA unit for methane-nitrogen separation | 10.1016/j.compchemeng.2017.05.006 | 2017 |
| Simultaneous multiphase flash and stability analysis calculations including hydrates | 10.1016/j.fluid.2015.10.030 | 2016 |
| Molecular Dynamic Simulation of Oxaliplatin Diffusion in Poly(lactic acid- co -glycolic acid). Part A: Parameterization and Validation of the Force-Field CVFF | 10.1002/mats.201500049 | 2016 |
| Equation of state based on the hole-lattice theory and surface-charge density (COSMO): Part B - Vapor-liquid equilibrium for mixtures | 10.1016/j.fluid.2016.03.005 | 2016 |
| Investigation of the PIT emulsification mechanism by NIR and conductometry | 10.1016/j.colsurfa.2016.07.019 | 2016 |
| Alternative EoS-based model for predicting water content, metastable phases and hydrate formation in natural gas systems | 10.1016/j.jngse.2016.10.058 | 2016 |
| Equation of state based on the hole-lattice theory and surface-charge density (COSMO): Part A - Pure compounds | 10.1016/j.fluid.2015.11.010 | 2016 |
| Extending an equation of state to confined fluids with basis on molecular simulations | 10.1016/j.ces.2016.07.033 | 2016 |
| Phase diagrams for hydrates beyond incipient condition - Complex behavior in methane/propane and carbon dioxide/iso-butane hydrates | 10.1016/j.fluid.2016.02.002 | 2016 |
| MOLECULAR THERMODYNAMICS OF MICELLIZATION: MICELLE SIZE DISTRIBUTIONS AND GEOMETRY TRANSITIONS | 10.1590/0104-6632.20160333s20150129 | 2016 |
| Non-isothermal population balance model for formation and dissociation of gas hydrates | 10.1016/j.ces.2016.12.012 | 2016 |
| Effects of electrostatic correlations on ion dynamics in alternating current voltages | 10.1016/j.electacta.2014.11.109 | 2015 |
| Modeling Water Saturation Points in Natural Gas Streams Containing CO 2 and H 2 S-Comparisons with Different Equations of State | 10.1021/ie504224x | 2015 |
| Influence of Commercial Antiagglomerants and Ammonium Quaternary Compounds on the Stability of Waxy Crude Oil Emulsion | 10.1021/ef502815x | 2015 |
| Modeling MEA with the CPA equation of state: A parameter estimation study adding local search to PSO algorithm | 10.1016/j.fluid.2015.05.004 | 2015 |
| Membrane Potential and Ion Partitioning in an Erythrocyte Using the Poisson-Boltzmann Equation | 10.1021/acs.jpcb.5b02215 | 2015 |
| Cubic Plus Association Equation of State for Flow Assurance Projects | 10.1021/acs.iecr.5b01410 | 2015 |
| The electrostatic behavior of the bacterial cell wall using a smoothing function to describe the charge-regulated volume charge density profile | 10.1016/j.colsurfb.2015.06.066 | 2015 |
| Studies on transitional emulsion phase inversion using the steady state protocol | 10.1016/j.colsurfa.2015.08.003 | 2015 |
| Methane/nitrogen separation through pressure swing adsorption process from nitrogen-rich streams | 10.1016/j.cep.2015.11.002 | 2015 |
| NON-EQUILIBRIUM MOLECULAR DYNAMICS USED TO OBTAIN SORET COEFFICIENTS OF BINARY HYDROCARBON MIXTURES | 10.1590/0104-6632.20150323s00003445 | 2015 |
| Modelling of Hg0 Removal from Gaseous Streams and Its Fixation in Hydroxyapatite-Based Adsorbents Modified with Copper Sulphide | 10.1260/0263-6174.33.2.175 | 2015 |
| STEADY STATE AND PSEUDO-TRANSIENT ELECTRIC POTENTIAL USING THE POISSONBOLTZMANN EQUATION | 10.1590/0104-6632.20150321s00001653 | 2015 |
| A low-disturbance nonequilibrium molecular dynamics algorithm applied to the determination of thermal conductivities | 10.1002/aic.14803 | 2015 |
| Steric effects on ion dynamics near charged electrodes | 10.1016/j.fluid.2013.09.065 | 2014 |
| Preface | 10.1016/S0378-3812(13)00731-0 | 2014 |
| A modified multi-site occupancy model: evaluation of azeotropelike behavior in adsorption | 10.1007/s10450-014-9644-6 | 2014 |
| Investigation of adsorption-enhanced reaction process of mercury removal from simulated natural gas by mathematical modeling | 10.1016/j.fuel.2014.03.048 | 2014 |
| Transitional Phase Inversion of Emulsions Monitored by in Situ Near-Infrared Spectroscopy | 10.1021/la4007263 | 2013 |
| THERMODYNAMIC STABILITY OF WATER-IN-OIL EMULSIONS | 10.5419/bjpg2013-0001 | 2013 |
| Phase equilibrium of fluids confined in porous media from an extended Peng-Robinson equation of state | 10.1016/j.fluid.2013.10.049 | 2013 |
| Thermodynamic Properties of 1:1 Salt Aqueous Solutions with the Electrolattice Equation of State | 10.2516/ogst/2012088 | 2013 |
| Double layer interaction between charged parallel plates using a modified Poisson¿Boltzmann equation to include size effects and ion specificity | 10.1016/j.colsurfa.2012.07.008 | 2012 |
| Parameter estimation of kinetic cure using DSC non-isothermal data | 10.1007/s10973-010-0984-5 | 2011 |
| Attractive double-layer forces between neutral hydrophobic and neutral hydrophilic surfaces | 10.1103/PhysRevE.84.061903 | 2011 |
| High-Pressure Experimental Data of CO | 10.1021/je101233k | 2011 |
| Vapor−Liquid Equilibrium Calculations of Aqueous and Nonaqueous Binary Systems Using the Mattedi−Tavares−Castier Equation of State | 10.1021/ie100791f | 2011 |
| Thermodynamic modeling of confined fluids using an extension of the generalized van der Waals theory? | 10.1016/j.ces.2010.01.032 | 2010 |
| High-pressure phase diagram of the drug mitotane in compressed and/or supercritical CO2 | 10.1016/j.jct.2009.08.017 | 2010 |
| Ion-specific thermodynamic properties of colloids and proteins | 10.1016/j.fluid.2010.02.031 | 2010 |
| Vapor¿liquid equilibrium calculations for refrigerant mixtures with the Mattedi¿Tavares¿Castier EOS | 10.1016/j.fluid.2010.03.002 | 2010 |
| Ion-specific thermodynamical properties of aqueous proteins | 10.1590/s0001-37652010000100010 | 2010 |
| Anion-Specific Partitioning in Two-Phase Finite Volume Systems: Possible Implications for Mechanisms of Ion Pumps | 10.1021/jp809051j | 2009 |
| Inner segment radial distribution functions at contact point for chain-like molecules | 10.1016/j.molliq.2009.04.005 | 2009 |
| Ion specific forces between charged self-assembled monolayers explained by modified DLVO theory | 10.1016/j.colsurfa.2009.05.017 | 2009 |
| Phase transition of water¿in¿oil emulsions over influence of an external electric field | 10.1016/j.colsurfa.2008.05.004 | 2008 |
| Cure kinetic parameter estimation of thermosetting resins with isothermal data by using particle swarm optimization | 10.1016/j.eurpolymj.2008.05.017 | 2008 |
| Osmotic Second Virial Coefficients and Phase Diagrams for Aqueous Proteins from a Much-Improved Poisson?Boltzmann Equation | 10.1021/jp802983f | 2008 |
| Forces between air-bubbles in electrolyte solution | 10.1016/j.cplett.2008.04.099 | 2008 |
| The influence of ion binding and ion specific potentials on the double layer pressure between charged bilayers at low salt concentrations | 10.1063/1.2873307 | 2008 |
| Co-Ion and Ion Competition Effects: Ion Distributions Close to a Hydrophobic Solid Surface in Mixed Electrolyte Solutions | 10.1021/la7037069 | 2008 |
| Specific ion effects: Interaction between nanoparticles in electrolyte solutions | 10.1016/j.colsurfa.2007.08.020 | 2008 |
| Specific Ion Adsorption and Surface Forces in Colloid Science | 10.1021/jp7098174 | 2008 |
| Osmotic Second Virial Coefficients and Phase Diagrams for Aqueous Proteins from a Much-Improved Poisson-Boltzmann Equation | 10.1021/jp074807q | 2007 |
| Viscoelastic response and cure kinetic of a bisphenol - A-derived epoxy | 2007 | |
| Evaluation of mixing and combining rules for asymmetric Lennard¿Jones chain mixtures: Effect of segment diameter, energy interaction, and chain length | 10.1016/j.fluid.2007.05.027 | 2007 |
| Finite volume solution of the modified Poisson?Boltzmann equation for two colloidal particles | 10.1039/b701170a | 2007 |
| Adsorption equilibrium of light hydrocarbon mixtures by monte carlo simulation | 10.1590/S0104-66322007000400012 | 2007 |
| Effect of the ion-protein dispersion interactions on the protein-surface and protein-protein interactions | 10.1590/s0103-50532007000100026 | 2007 |
| Ion-Specific Forces between a Colloidal Nanoprobe and a Charged Surface | 10.1021/la700690g | 2007 |
| Viscoelastic Response and Cure Kinetic of a Bisphenol A-Derived Epoxy | 2007 | |
| Monte Carlo Simulation of Binary Mixtures Adsorbed on Heterogeneous Surfaces | 2006 | |
| Effect of Salt Identity on the Phase Diagram for a Globular Protein in Aqueous Electrolyte Solution | 10.1021/jp061191g | 2006 |
| Ion Specific Interactions Between Pairs of Nanometer Sized Particles in Aqueous Solutions | 10.1007/3-540-32702-9 | 2006 |
| Hofmeister Effects: Why Protein Charge, pH Titration and Protein Precipitation Depend on the Choice of Background Salt Solution | 10.1016/j.colsurfa.2005.11.021 | 2006 |
| Phase equilibria of soybean oil, castor oil and their fatty acid ethyl esters with carbon dioxide at high pressures | 10.1016/j.supflu.2005.08.002 | 2006 |
| Phase behavior of olive and soybean oils in compressed propane and n-butane | 10.1590/s0104-66322006000300014 | 2006 |
| Specific Ion Effects in Solutions of Globular Proteins: Comparison between Analytical Models and Simulation | 10.1021/jp0551869 | 2005 |
| Why forces between proteins follow different Hofmeister series for pH above and below pI | 10.1016/j.bpc.2005.05.010 | 2005 |
| Vapor Pressure Data of Soybean Oil, Castor Oil, and Their Fatty Acid Ethyl Ester Derivatives | 10.1021/je049898o | 2005 |
| Centrifugation equilibrium of natural gas | 10.1016/j.ces.2004.12.027 | 2005 |
| Thermodynamic equilibrium of adsorbed phases | 10.1016/j.fluid.2005.04.013 | 2005 |
| Self- and mutual diffusion coefficient equation for pure fluids, liquid mixtures and polymeric solutions | 10.1016/j.ces.2005.03.018 | 2005 |
| Phase behavior of castor oil in compressed propane and n-butane | 10.1016/j.supflu.2004.11.017 | 2005 |
| Thermodynamic equilibrium in systems with multiple adsorbed and bulk phases | 10.1016/j.ces.2004.11.007 | 2005 |
| Phase equilibrium calculations for confined fluids, including surface tension prediction models | 10.1590/s0104-66322005000100010 | 2005 |
| Centrifugation equilibrium for spheres and spherocylinders | 10.1016/j.jcis.2004.08.106 | 2005 |
| Ion-Specific Effects in the Colloid-Colloid or Protein-Protein Potential of Mean Force: Role of Salt Macroion van der Waals Interactions | 10.1021/jp037809t | 2004 |
| Molecular dynamics simulation data of self-diffusion coefficient for Lennard-Jones chain fluids | 10.1016/j.fluid.2004.04.007 | 2004 |
| Thermodynamics of fluid-phase equilibria for standard chemical engineering operations | 10.1002/aic.10069 | 2004 |
| The role of salt-macroion van der Waals interactions in the colloid-colloid potential of mean force | 10.1016/j.cocis.2004.05.008 | 2004 |
| Phase behavior of aqueous solutions containing dipolar proteins from second-order perturbation theory | 10.1063/1.1697387 | 2004 |
| Mutual diffusion coefficient models for polymer-solvent systems based on the Chapman-Enskog theory | 10.1590/s0104-66322004000400010 | 2004 |
| Analytic calculation of phase diagrams for solutions containing colloids or globular proteins | 10.1007/s00396-003-0987-x | 2004 |
| Monte Carlo Simulations of the Adsorption of Chainlike Molecules on Two-Dimensional Heterogeneous Surfaces | 10.1021/la026217j | 2003 |
| Monte Carlo simulation of adsorption using 2-D models of heterogeneous solids | 10.1002/aic.690490319 | 2003 |
| Influence of particle shape on the packing and on the segregation of spherocylinders via Monte Carlo simulations | 10.1016/s0032-5910(03)00151-7 | 2003 |
| Shear viscosity calculated by perturbation theory and molecular dynamics for dense fluids | 10.1002/qua.10762 | 2003 |
| Analytic calculation of phase diagrams for charged dipolar colloids with orientation-averaged pair potentials | 10.1039/b309975j | 2003 |
| High pressure phase equilibrium calculations for hydrocarbon systems using an equation of state based on the lattice fluid theory | 10.1016/S0378-3812(01)00678-1 | 2002 |
| Improving the SAFT-EOS by using an effective WCA segment diameter | 2002 | |
| Role of attractive forces in self-diffusion and mutual diffusion in dense simple fluids and real substances | 2002 | |
| Square-well chain mixture: analytic equation of state and Monte Carlo simulation data | 10.1016/S0378-3812(00)00505-7 | 2001 |
| Phase equilibria of polypropylene samples with hydrocarbon solvents at high pressures | 10.1002/app.1755 | 2001 |
| Phase equilibria of binary mixtures by molecular simulation and cubic equations of state | 10.1590/s0104-66322001000200003 | 2001 |
| Phase behavior of isotactic polypropylene/C4-solvents at high pressure. Experimental data and SAFT modeling | 10.1016/s0896-8446(01)00087-0 | 2001 |
| MONTE CARLO SIMULATIONS OF THE ADSORPTION OF DIMERS ON STRUCTURED HETEROGENEOUS SURFACES | 10.1590/s0104-66322001000400004 | 2001 |
| Calculation of sedimentation equilibrium using a modified flash algorithm | 10.1016/S0009-2509(01)00094-X | 2001 |
| An Equation of State for Polymers and Normal Fluids Using the Square-Well Potential of Variable Well Width | 10.1021/ie0007116 | 2001 |
| An analytic equation-of-state for mixture of square-well chain fluids of variable well width | 10.1016/S0378-3812(00)00504-5 | 2001 |
| Phase Equilibrium Calculations for Semicontinuous Mixtures Subject to Gravitational Fields | 10.1021/ie000268z | 2000 |
| Calculations of thermodynamic equilibrium in systems subject to gravitational fields | 10.1016/S0009-2509(00)00010-5 | 2000 |
| Calculation of mixture critical diagrams using an equation of state based on the lattice fluid theory | 10.1590/s0104-66322000000400040 | 2000 |
| A comparison of simulated annealing algorithms in the scheduling of multiproduct serial batch plants | 10.1590/S0104-66322000000200008 | 2000 |
| Liquid film flow and area generation in structured packed columns | 10.1016/S0032-5910(99)00029-7 | 1999 |
| Dense fluid self-diffusion coefficient calculations using perturbation theory and molecular dynamics | 10.1590/s0104-66321999000300010 | 1999 |
| A phase stability analysis of the combinatorial term of the UNIQUAC model | 10.1016/S0009-2509(98)00282-6 | 1999 |
| A Monte Carlo simulation of the packing and segregation of spheres in cylinders | 10.1590/s0104-66321999000400008 | 1999 |
| GROUP CONTRIBUTION LATTICE FLUID EQUATION OF STATE: APPLICATION TO POLYMER+SOLVENT SYSTEMS | 10.1590/s0104-66321998000300010 | 1998 |
| Group contribution equation of state based on the lattice fluid theory: Alkane-alkanol systems | 10.1016/s0378-3812(97)00218-5 | 1998 |
| Monte Carlo simulation of particle segregation | 10.1016/s0032-5910(98)00009-6 | 1998 |
| A Review of Group Contribution Methods for the Prediction of Phase Equilibria. | 1997 | |
| Phase Equilibria Determination of the One-Component Mean Force Potential of Globular Protein Solutions | 10.1002/aic.690430124 | 1997 |
| ESTUDO DA SELETIVIDADE CAPACIDADE EM SISTEMAS SÓLIDO-GÁS | 10.1590/s0101-20611997000400031 | 1997 |
| A completely analytic equation of state for the square-well chain fluid of variable well width | 10.1016/s0378-3812(97)00097-6 | 1997 |
| Group Contribution Equations of State Based on the Lattice Fluid Theory | 1996 | |
| Vapour-liquid equilibria of exponential-six fluids | 10.1080/00268979600101001 | 1996 |
| Equation of State for the Square-Well Chain Fluid Based on the Dimer-Version of Wertheim´s Perturbation Theory | 10.1080/00268979500102851 | 1995 |
| Equations of state for chainlike polar fluids: a comparison of reference terms | 10.1016/0378-3812(94)80024-3 | 1994 |
| Avaliação e Comparação das Equações de Estado SPHCT, Peng-Robinson e Soave Modificada Através do Cálculo de Propriedades Termodinâmicas | 1993 | |
| Uma Proposta de Modelo para Isotermas de Adsorção Multicomponente | 1993 | |
| Adsorção em Fase Líquida: Capacidade Preditiva da Teoria de Soluções de Vazios | 1987 |
Eventos:
(0.86% eventos com DOI)
| Titulo | DOI | Ano |
|---|---|---|
| Experimental study of hydrate dissociation by high pressure calorimetry in systems with high concentration of thermodynamic inhibitors. | 2023 | |
| A hydrate growth model based on non-equilibrium thermodynamics using the Prigogine chemical affinity: Applied to CH4 hydrate in EtOH inhibited systems. | 2023 | |
| Molecular Dynamics Study of the Adsorption of Bisphenol A in Polyethylene Nanoplastics | 2022 | |
| Propagation of Uncertainties in Frontal Analysis Method: A Bayesian and Frequentist Evaluation of Adsorption Isotherms for Praziquantel Enantiomers | 2022 | |
| Thermal Swing Adsorption (TSA) pilot plant to dehydrate natural gas with high carbon dioxide content | 2022 | |
| A DEEP NEURAL NETWORK AS A TOOL TO DESCRIBE ADSORPTION COLUMNS FOR PROTEIN SEPARATION USING MULTISCALE INFORMATION | 2022 | |
| Influence of Temperature on Selectivity and Retention of Praziquantel Enantiomers: A Bayesian Analysis of the Enthalpy and Entropy of Adsorption | 2022 | |
| Effect of Al/Na+ on the Water/CO2 Adsorption in Chabazite | 2022 | |
| Development of classical Density Functional Theory on 3D geometries applied to Porous Material Characterization on Molecular Level | 2022 | |
| A coarse-grained Density Functional Theory for Adsorption | 2022 | |
| ALGORITHM FOR DETECTING AND COUNTING CLUSTERS OF PARTICLES IN MOLECULAR SIMULATION | 2021 | |
| Dissipative Particle Dynamics Simulation of Asphaltene at Water-Benzene Interface | 2021 | |
| CÁLCULO DE EQUILÍBRIO LÍQUIDO-VAPOR DE SISTEMAS COM COMPONENTES DO GÁS NATURAL | 2021 | |
| SURFACE CHARGE REGULATION AT THE LEVEL OF CLASSICAL DENSITY FUNCTIONAL THEORY | 2021 | |
| ELECTROSTATIC BEHAVIOR OF SANDSTONES AND OIL USING CLASSICAL DENSITY FUNCTIONAL THEORY | 2021 | |
| HYDRATE GROWTH MODEL BASED ON NON-EQUILIBRIUM THERMODYNAMICS USING THE PRIGOGINE AFFINITY AS A DRIVING FORCE | 2021 | |
| Influência da composição de petróleos na pressão de miscibilidade | 2021 | |
| Experimental and Computational Analysis of CO2 , N2 , and CO Adsorption on Hydroxyapatite | 2020 | |
| Estimation of the transfer free energy of POE tails and application for a spherocylindrical structure prediction for a mixture of P123 and F127 surfactants. In: | 2020 | |
| Molecular dynamics of LTA zeolite: checking force fields using X-ray diffraction patterns | 2020 | |
| Studies of interaction potentials effects in the DFT approach for confined fluids | 2020 | |
| Method for estimation the protein binding affinity using a robust Poisson-Boltzmann model for the adsorption of lysozyme | 2020 | |
| Application of In-situ X-ray Characterization Techniques in Zeolites: A Review | 2020 | |
| Characterization of Fresh and Aged Zeolites Using Different X-ray and Adsorption/Desorption Isotherm Techniques | 2020 | |
| Separation of Methane and Carbon Dioxide mixtures by Adsorption on Calcite Nanopores via Molecular Dynamics | 2020 | |
| Phase Equilibria Data and Thermodynamic Analysis for Liquid-Hydrate-Vapor (LHV) Data with High Concentrations of Ethanol. | 2019 | |
| HIGH-PRESSURE PHASE EQUILIBRIA FOR THE SYSTEMS CO2 + N-ALKANE, CO2 + N-ALKANE + PHENANTHRENE | 2019 | |
| Equations of state based on molecular simulations for pure confined fluids and their mixtures | 2019 | |
| THERMODYNAMIC PROPERTIES OF CH4 + CO2 AND CH4 + N2 BINARY MIXTURES CONFINED IN BARITE, CALCITE AND MONTMORILLONITE NANOPORES BY MOLECULAR DYNAMICS | 2019 | |
| Equilíbrio de fases de sistemas constituídos de co2 e hidrocarbonetos saturados E aromáticos | 2019 | |
| AJUSTE DO MODELO DE MÚLTIPLAS SOLUÇÕES SÓLIDAS A PARTIR DE DADOS EXPERIMENTAIS DE DSC PARA MISTURAS SINTÉTICAS DE PARAFINAS | 2019 | |
| Experimental and Thermodynamic Modeling of Wax precipitation for reservoir fluids with high CO2 content at high pressures | 2019 | |
| Equilíbrio de fases de monoetileno glicol + ÁLCOOL + n-alcano: estudo experimental e modelagem termodinâmica | 2019 | |
| MODEL FOR DIFFUSIVITY AND VISCOSITY IN SIMPLE ORGANIC LIQUIDS BASED ON LATTICE-HOLE FRAMEWORK AND MOLECULAR DESCRIPTORS | 2019 | |
| HYSTERESIS ANALYSIS IN MESOPOROUS SOLIDS ADSORPTION CURVES: A COMPARISON BETWEEN THE NLDFT AND QSDFT TECHNIQUES IN THE PRODUCTION OF ADSORPTION ISOTHERMS DATA | 2019 | |
| ESTUDO DE PROPRIEDADES INTERFACIAIS DE SISTEMAS ÁGUA/N-ALCANO/TENSOATIVOS VIA SIMULAÇÃO MOLECULAR | 2019 | |
| Avaliação do modelo Electrolyte NRTL em cálculos de equilíbrio de sistemas compostos por hidratos | 2019 | |
| EXPERIMENTAL AND MODELLING THERMODYNAMIC STUDY OF MIXTURES CONTAINING CARBON DIOXIDE + METHANE + n-ALKANES | 2019 | |
| INVERSÃO BAROTRÓPICA EM SISTEMAS DIÓXIDO DE CARBONO E N-PARAFINA: ESTUDO EXPERIMENTAL E MODELAGEM TERMODINâMICA | 2019 | |
| WATER CONTENT IN CO2-CH4 MIXTURES AT HIGH PRESSURE: EXPERIMENTAL DATA AND MODELING | 2019 | |
| ABORDAGEM UNIFICADA PARA APLICAÇÃO DA TEORIA DE GRUPOS DE RENORMALIZAÇÃO EM EQUAÇÕES DE ESTADO | 2019 | |
| MODELAGEM TERMODINÂMICA PARA EQUILÍBRIO SÓLIDO- SÓLIDO ISO-ESTRUTURAL EM SISTEMAS ADSORTIVOS DE LANGMUIR: ASPECTOS DA RESOLUÇÃO NUMÉRICA | 2019 | |
| MODELAGEM TERMODINÂMICA DO COMPORTAMENTO DE FASES FLUIDAS DE MONOCAMADAS DE LANGMUIR | 2019 | |
| MODELAGEM PVT APLICADA ÀS INCLUSÕES FLUIDAS DE PETRÓLEO | 2019 | |
| Concentration and solvent Effects on Asphaltene Aggregation | 2019 | |
| MOLECULAR THERMODYNAMICS FOR WATER-IN-OIL MICROEMULSIONS: AN EXPERIMENTAL-MODELING APPROACH | 2019 | |
| WHY DO WE USE STOCHSTIC OPTIMIZATION METHODS? A STUDY ON PARAMETER ESTIMATION FOR THERMODYNAMIC MODELING | 2019 | |
| STRUCTURE PREDICTION OF MICELLE FORMATION USING MOLECULAR THERMODYNAMIC MODELING FOR A NONIONIC SURFACTANT | 2019 | |
| DETERMINATION OF SELF-DIFFUSION COEFFICIENTS FOR CO2 AND N-ALKANES MIXTURES UNDER HIGH PRESSURES USING MOLECULAR DYNAMICS: A COMPARISON BETWEEN METHODOLOGIES AND FORCE FIELDS | 2018 | |
| PHASE DIAGRAM MODELLING OF COMPLEX COACERVATES | 2018 | |
| PHASE INVERSION IN CARBON DIOXIDE AND PARAFFIN SYSTEM: EXPERIMENTAL DATA AND THERMODYNAMIC MODELING | 2018 | |
| PARAFFIN SOLUBILITY CALCULATION FROM MODEL ADJUSTED THROUGH DSC DATA: APPLICATION TO SYNTHETIC MIXTURES AND DIESEL FUELS | 2018 | |
| PYTHERM, INTERACTIVE COURSEWARE CONTENT FOR APPLIED THERMODYNAMICS | 2018 | |
| A NATURAL PRESSURE SHIFT IN EXTENDING THE VAN DER WAALS AND PLATTEEUW TO COMPRESSIBLE CLATHRATES | 2018 | |
| GAS HYDRATES THERMODYNAMIC PROPERTIES FROM MONTE CARLO SIMULATIONS USING RASPA2 | 2018 | |
| HIGH PRESSURE PHASE EQUILIBRIA OF SYSTEMS CONSTITUTED BY CO2 AND METHANE: EXPERIMENTAL STUDY AND THERMODYNAMIC MODELING? | 2018 | |
| ELECTRICAL DOUBLE-LAYER AND WETTABILITY OF BRINE, CALCITE, AND OIL INTERFACES | 2018 | |
| FINITE VOLUME APPLIED ON THE SOLUTION OF DYNAMICAL DENSITY FUNCTIONAL THEORY TO SOLVE ADSORPTION PHNOMENA ON MICROPORE SOLID | 2018 | |
| PHASE STABILITY OF DOUBLE HYDRATES CONTAINING ETHANOL | 2018 | |
| Cálculo de solubidade de parafinas via EdE de Peng-Robinson e UNIQUAC modificado usando dados de calorimetria (DSC) | 2017 | |
| Comparação entre Simuladores de Cálculos de Equilíbrio de Fases em Sistemas Contendo Gás Natural | 2017 | |
| Estudo do Efeito de Inibidores Salinos e Moleculares na Formação de Hidratos | 2017 | |
| Equilíbrio Líquido -Vapor e Sólido - Líquido do Sistema THF/H2O: Condições de Formação de Hidratos | 2017 | |
| Uso de Equações de Estado com Renormalização de Wilson para Equilíbrio Líquido - Vapor | 2017 | |
| Equilíbrio de Fases a Alta Pressão de Sistemas Constituídos por CO2, Fenantreno, Tolueno e Metanol: Estudo Experimental | 2017 | |
| Effects of electrostatic correlations on micelle formation | 2016 | |
| Analysis of application of the Poisson-Boltzmann equation in a protein adsorption system | 2016 | |
| Phase behavior and compositional variation modeling of petroleum fluids containing asphaltene and CO2 by CPA-EoS | 2016 | |
| Correlações Empíricas do Fator de Encolhimento de Petróleos | 2016 | |
| Avaliação de Estabilidade em Escala Piloto de Emulsões de Água-em-Óleo Sob Influência de Campos Elétricos | 2016 | |
| Simulação Molecular de Estruturas Cristalinas da Hidroxiapatita | 2016 | |
| Refinamento de Rietveld Aplicado à Sorção de Hg em Hidroxiapatita?. Anais do XI Encontro Brasileiro sobre Adsorção | 2016 | |
| Estudo de Sistemas Eletrolíticos Através da Teoria do Funcional da Densidade Clássica | 2016 | |
| Cálculo do Potencial Químico de Moléculas Rígidas via Simulação de Monte Carlo com Ensemble Expandido | 2016 | |
| Análise da formação de hidrato de THF em sistema óleo dominante | 2016 | |
| Modeling of confined fluids via molecular simulation and equation of state | 2016 | |
| The role of structural characteristics of hydroxyapatite-based sorbents for Hg0 removal: a molecular dynamics approach | 2016 | |
| TERMODINÂMICA DE MICELIZAÇÃO: DISTRIBUIÇÕES DE TAMANHO E TRANSIÇÃO ENTRE GEOMETRIAS | 10.5151/chemeng-cobeq2014-1698-17987-148796 | 2015 |
| EFEITO DA DIFUSÃO TÉRMICA NA GRADAÇÃO COMPOSICIONAL DE RESERVATÓRIOS DE PETRÓLEO | 2015 | |
| Electrostatic correlations and non-electrostatic effects on ion dynamics in alternating current voltages | 2014 | |
| Monitoring emulsion inversion by in situ near infrared spectroscopy (NIR) | 2014 | |
| Emulsion Phase Inversion In Function Of Salinity, Surfactant Tail Size And Co-surfactant Concentration | 2014 | |
| Análise do potencial de Gibbs-Donnan via equação de Poisson-Boltzmann na presença de carga fixa | 2014 | |
| Analysis of finite element solution of the Poisson-Boltzmann equation | 2014 | |
| Implementación y Evaluación del Método de Monte Carlo Híbrido para Simulación de Moléculas Rígidas con Estructura Rígida | 2014 | |
| SIMULAÇÃO NUMÉRICA DA ADSORÇÃO DE METANO E NITROGÊNIO EM LEITO FIXO CONTENDO SILICALITA | 2014 | |
| Simulação numérico-computacional da remoção de CH4 de efluentes de tratamento de gás natural ricos em N2 por adsorção em silicalita | 2014 | |
| MODELAGEM TERMODINÂMICA E CINÉTICA DE PRECIPITAÇÃO DE SAIS NA PRESENÇA DE GLICOL | 2014 | |
| Modelagem termodinâmica e cinética de precipitação de sais na presença de glicol | 2014 | |
| Modelagem da Remoção de Mercúrio Elementar de Correntes Gasosas e da sua Fixação em Adsorventes Sulfetados | 2014 | |
| Study of the Influence of Cement Slurry Composition in the Gas Migration | 10.4043/24420-MS | 2013 |
| Dinamica de ions em solução:efeitos de correlação eletrostática | 2013 | |
| Teoria de sistemas coloidais: Cálculo da concentração micelar crítica via minimização da energia de Gibbs | 2013 | |
| Force and Osmotic Second virial Coefficient for Dissimilar Globular Proteins Immersed in Electrolyte Solutions | 2013 | |
| Steric effects on ion dynamics near charged electrodes | 2013 | |
| Microemulsion Phase Behavior and Emulsion Phase Inversion of the System SDS / n-Pentanol / Heptane + Toluene / Brin | 2013 | |
| Phase equilibrium of fluids confined in porous media from an extended Peng-Robinson equation of state | 2013 | |
| Validación del Método de Ensamble Expandido en un Marco de Dinámica Molecular para la Obtención del Potencial Químico Residual | 2013 | |
| Determinação da Condutividade Térmica e Coeficientes de Soret via Simulação Molecular de Não-Equilíbrio | 2013 | |
| Kinetics salt dissolution and precipitation aqueous solution containing glycol | 2013 | |
| Mathematical Modeling for the Mercury Sorption from Gaseous Stream by Phosphate-based Sorbents Modified with Copper Sulfide | 2013 | |
| Ion dynamics near a charged electrode: a Poisson-Nernst-Planck approach | 2012 | |
| Estimação de Parâmetros da Equação de Estado CPA utilizando um método de otimização estocástico: Análise da Região de Confiança | 2012 | |
| Multiphase equilibrium of fluids confined in heterogeneous porous solids | 2012 | |
| MODIFICATION IN HYDROGEN BONDS CALCULATION OF COSMO-SAC MODEL | 2012 | |
| Solubility Predictions for the Weakly Soluble Solutes Anthracene and Trans-Stilbene in Solvents of interest Employing an Expanded Ensemble Method in a Molecular Dynamics Framework | 2012 | |
| THERMODYNAMIC AND KINETIC MODELLING OF SALT PRECIPITATION IN THE PRESENCE OF GLYCOL | 2012 | |
| Modelagem do Processo de Sorção para Remoção de Mercúrio de Correntes Gasosas | 2012 | |
| Solução Dinâmica da Equação de Poisson-Boltzman | 2011 | |
| Calculation of physical-chemical properties of asymmetric coloidal systems using modified Poisson-Boltzmann equation | 2011 | |
| Density and pressure profiles of asymmetric colloidal systems using modified Poisson-Boltzmann equation. | 2011 | |
| Implementação e uso da equação de Poisson-Boltzmann para avaliação de perfis de potenciais elétricos Estacionários e pseudo-Transientes | 2011 | |
| Scale Studies of Electrostatic Coalescence of Water in Crude Oil Emulsions: Effect of Field Strength and Frequency | 2010 | |
| Compositional Influence on Cement Slurries Rheological Properties | 2010 | |
| Modificação da equação de Poisson-Boltzmann para descrever sistemas coloidais contendo íons de tamanhos diferentes | 2010 | |
| Transformations on the Poisson-Boltzmann Equation | 2009 | |
| Vapor-Liquid Equilibrium Calculations for Refrigerant Mixtures with the MTC-EOS | 2009 | |
| THERMODYNAMIC PHASE EQUILIBRIUM OF WATER-IN-OIL EMULSIONS | 2009 | |
| Cálculos de Equilíbrio de Fases de Misturas Alcano-Álcoois usando uma Equação de Estado Formulada a partir da Teoria do Gás Reticulado | 2009 | |
| Ion-Specific Potential of Mean Force Between Two Aqueous Proteins | 2008 | |
| Cure Kinetic Estimation Using DSC Isothermal Data. | 2008 | |
| New Approach for Parameter Estimation of Kinetic Cure using DSC Non-Isothermal Data. | 2008 | |
| Vapor-Liquid Equilibrium of Polar Mixtures Using a Cubic Plus Association and a Lattice Equation of State | 2008 | |
| Cálculo de Propriedades de Sistemas Coloidais via Equação de Poisson-Boltsmann: Uma abordagem termodinâmaica | 2008 | |
| Ion-Specific Thermodynamic Properties for Colloid Systems | 2008 | |
| Tensão Interfacial de Emulsões Asfalteno-tolueno/Água:Séries de Hoffmeister | 2008 | |
| Simulação do Processo de Produção do DME no Ambiente EMSO | 2008 | |
| Modelagem Termodinâmica para o Processo de Remoção de Contaminantes do Gás Natural | 2008 | |
| Modelagem de Adsorção de Fluidos em Materiais Porosos através da Teoria de van der Waals Generalizada | 2008 | |
| Cure kinetics of glass hollow microsphere/epoxy composites | 2007 | |
| Free Energy between two Dissimilar Charged Surfaces | 2007 | |
| Ion-Specific Thermodynamics Properties for Aqueous Proteins | 2007 | |
| Determinação da Difusividade Térmica de Materiais Compósitos Poliméricos | 2006 | |
| Cálculo de Equilíbrio de Fases pela Minimização Direta de Energia Livre Utilizando o Método da Continuação Homotópica | 2006 | |
| Utilização de Algoritmos Heurísticos de Otimização para o Cálculo de Equilíbrio de Fases | 2006 | |
| Modelagem de Viscosidade de Substâncias Puras e Misturas não Eletrolíticas pela Teoria de Eyring | 2006 | |
| Comparação entre Dados de Simulação Molecular e Modelagem da Função de Distribuição Radial Entre Segmentos de uma Cadeia Molecular | 2006 | |
| Coeficiente de difusão da água na castanha do Brasil durante o processo de sorção | 2006 | |
| Evaluation of Mixing and Combining Rules for Asymmetric Lennard-Jones Chain Mixtures: Effects of Segment Diameter, Energy Interaction, and Chain Length | 2006 | |
| Inner segment Radial Distribution Functions for Chain-Like Molecules | 2006 | |
| Tensile test of composites on Epoxy Resin and Hollow Glass Bubble System | 2006 | |
| Rheological Etudies on Epoxy Resin and Hollow Glass Bubble System | 2006 | |
| A Study of Viscoelastic Response of a Bisphenol A-Derived Epox | 2005 | |
| Phase Equilibria Of Soybean Oil, Castor Oil And Their Fatty Acid Ethyl Esters With Carbon Dioxide At High Pressures | 2005 | |
| Monte Carlo Simulation of Binary Mixtures Adsorbed on Heterogeneous Surfaces | 2005 | |
| Calculations of Thermodynamic Equilibrium in Systems With Multiple Adsorbed Phases | 2005 | |
| Hofmeister Effects: Why Protein Charge, pH Titration and Protein Precipitation Depend on the Choice of Background Salt Solution | 2005 | |
| Mutual Diffusion Coefficients for Binary Mixtures of Lennard-Jones Chains at Infinite Dilution | 2005 | |
| Ion Specific Interactions Between Pairs of Nanoparticles and Membranes in Aqueous Solutions | 2005 | |
| Os Efeitos de Hofmeister: Por Que a Carga da Proteína, a Curva de Titulação e a Precipitação da Proteína Dependem da Escolha do Sal da Solução | 2005 | |
| Coeficiente de Auto-Difusão nas Proximidades do Ponto Crítico de um Fluido de Lennard-Jones Obtido por Dinâmica Molecular | 2005 | |
| Método de Monte Carlo para Adsorção em Sólidos Heterogêneos em Sistemas com Vários Níveis de Discretização | 2005 | |
| Interação entre Colóides em Solução Contendo Polímeros | 2005 | |
| Calculo de Viscosidade de Misturas não Eletrolíticas | 2005 | |
| The Role of Salt-Macroion van der Waals Interactions in the Colloid-Colloid Potential of Mean Force | 2004 | |
| Hofmeister effect: the effect of added salt and buffer on the protonation of Cytochrome C | 2004 | |
| Novo Modelo de Coeficiente de Difusão Mútua Aplicado a Misturas de Líquidos e a Sistemas Poliméricos | 2004 | |
| Experimental Vapor Pressure Data of Vegetable Oils and Their Fatty Acid Ethyl Ester Derivatives | 2004 | |
| Porosity of Packed Beds of Spherocylinders Using The Monte Carlo Method | 2003 | |
| Shear Viscosity Calculated by Perturbation Theory and Molecular Simulation for Dense Fluids. Anais de Resumos do XI Simpósio Brasileiro de Química Teórica | 2002 | |
| Equação de Estado e Simulação Molecular de Misturas de Moléculas Polissegmentadas: Efeito do Tamanho, da Forma e da Energia de Interação nas Propriedades da Mistura | 2002 | |
| Modelo de Coeficiente de Difusão Mútuo para Sistemas Polímero-Solvente Baseado na Teoria Cinética de Chapman-Enskog | 2002 | |
| Calculation of Centrifugation Equilibrium Using an Extended Flash Algorithm | 2002 | |
| Adsorption Equilibrium of Multicomponent Systems by Monte Carlo Simulation | 2002 | |
| Dense Fluid Viscosity Calculation by Perturbation Theory and Molecular Dynamics | 2002 | |
| Prediction of the Glass Transition Temperature of Copolymers by a Thermodynamic Group Contribution Method | 2002 | |
| Monte Carlo Simulation of Randomly Packed Beds of Spherocylinders | 2002 | |
| Phase Equilibrium Calculations in Systems Subject to Gravity Field and Solid-Fluid Interactions | 2002 | |
| Self- and Mutual Diffusion Coefficients for Polyatomic Fluids and Fluid Mixtures Based on the Chapmann-Enskog Kinetic Theory | 2002 | |
| Lennard-Jones Chain Mixtures: Equations of State and Molecular Dynamics Simulation Data | 2002 | |
| Cálculo de Equilíbrio Termodinâmico de Sistemas que apresentam multiplicidade de fases adsorvidas | 2002 | |
| Role of Attractive Forces in the Diffusion Coefficients: An Experimental and Molecular Dynamics Study | 2001 | |
| Improving the SAFT-EoS by accounting for the connectivity in chain molecules and using a WCA effective segment diameter | 2001 | |
| High Pressure Phase Equilibrium Calculations for Hydrocarbon Systems Using an Equation of State Based on the Lattice Fluid Theory. | 2001 | |
| Simulação por Monte Carlo do Empacotamento e da Segregação de Partículas Esferocilíndricas. | 2001 | |
| Dinâmica Granular de Sistemas Bidimensionais: Resultados Preliminares | 2001 | |
| Determinação da Temperatura de Transição Vítrea de Polímeros Puros Via Equações de Estado | 2001 | |
| Cálculo do Equilíbrio de Centrifugação de Partículas Esféricas Usando um Algoritmo de Flash Estendido | 2001 | |
| Multi-Vacancy Solution Model of Adsorption from Gas mixtures on Heterogeneous Surfaces | 2001 | |
| Monte Carlo Simulation for Square-Well Chain Mixtures | 2001 | |
| Packing and Segregation for Pure and Binary Mixtures of Spherocylinder Particles | 2001 | |
| Improving the SAFT-EOS by using a more realistic segment diameter and accounting for the connectivity of chain formation | 2001 | |
| Dense Fluid Self and Binary Diffusion Coefficients Calculated with Perturbation Theory and Molecular Dynamics | 2000 | |
| A Completely Analytic Equation of State for Mixtures of Square-well Chains of Variable Well Width | 2000 | |
| Adsorção de Moléculas Polissegmentadas via Simulação Molecular | 2000 | |
| Role of Attractive Forces in Self- and Mutual Diffusion Coefficients in Dense Fluids | 2000 | |
| Adsorção de Misturas de Moléculas Polissegmentadas em Superfície Sólidas Planas | 2000 | |
| Análise do Modelo de Solução de Vazios para a Adsorção de Gases Multicomponentes | 2000 | |
| Phase Behavior of Isotactic Polypropylene/C4-Solvents at High Pressures: Experimental Data and SAFT Modeling | 2000 | |
| Aplicação da Teoria da Pertubação à Sistemas contendo Proteínas | 2000 | |
| Simulação de Monte Carlo da Segregação de Partículas em Leito Fluidizado | 2000 | |
| Cálculo de Flash Isotérmico em Sistemas Submetidos ao Efeito de Campos Gravitacionais | 1999 | |
| Simulação por Monte Carlo da Segregação de Partículas na Presença de Campos Gravitacional e Centrífugo | 1999 | |
| Simulação de Monte Carlo da Adsorção de Moléculas Polissegmentadas em Superfícies Sólidas | 1999 | |
| Dense Fluid Self-Diffusion Coefficient Calculations | 1999 | |
| Aplicação da Dinâmica Molecular no Cálculo do Coeficiente de Difusão | 1999 | |
| Cálculo de Propriedades Termodinâmicas de Misturas de Fluidos de Lennard-Jones por Simulação Molecular | 1999 | |
| Precipitação de Proteínas Induzidas por Soluções Iônicas | 1999 | |
| Previsão de Adsorção de Gases em Zeólitas por Simulação Molecular | 1998 | |
| Adsorção de CO2 e CO em Materias Biocerâmicos: Análise do Modelo Heterogêneo de Lagmuir . | 1998 | |
| Coeficiente de Auto-difusão de Hidrocarbonetos por Dinâmica Molecular | 1998 | |
| Simulação da Desterpenação do Óleo Essencial de Laranja com CO2 Supercrítico Operando em Modo Contínuo. | 1998 | |
| Escoamento de Líquidos e Geração de Área Superficial Molhada em Colunas de Recheios Estruturados | 1998 | |
| Determinação do Empacotamento e da Segregação de Esferas em Cilindros Usando o Método de Monte Carlo | 1998 | |
| Aplicação do Método de Monte Carlo na Avaliação de Modelos de Isotermas de Adsorção para Superfícies Heterogêneas | 1998 | |
| Monte Carlo Simulation of Particle Segregation: Preliminary Results | 1997 | |
| Group Contribution Lattice fluid Equations of State: Application to Polymer+Solvent Systems | 1997 | |
| Determinação do Coeficiente de Auto-difusão de Hidrocarbonetos por Dinâmica Molecular | 1997 | |
| Determinação de Propriedades Termodinâmicas de Fluidos Através do Método do Histograma | 1997 | |
| Determinação do Equilíbrio de Fases de Misturas por Simulação Molecular e Equações de Estado Cúbicas | 1997 | |
| Modelo para Energia Livre de Gibbs em Excesso de Fluidos Polares Polissegmentados: Aplicação a Sistemas Poliméricos Aquosos | 1997 | |
| Cálculo de Propriedades Termodinâmicas de Moléculas Polissegmentadas Através de Simulação Molecular | 1997 | |
| Cálculo de Precipitação de Proteínas Induzidas por Polímeros | 1997 | |
| Equação de Estado para Misturas Polares | 1996 | |
| Mean Force Model of Globular Protein Solution: a Phase Equilibrium Problem. | 1996 | |
| Aplicação do Método de Monte Carlo à Segregação de Partículas: Resultados Preliminares | 1996 | |
| Equacao de Estado Para Fluidos Polares Polissegmentados | 1994 | |
| Avaliação e Comparação das Equações de Estado SPHCT, Peng-Robinson e Soave Modificada Através do Cálculo de Propriedades Termodinâmicas | 1993 | |
| Equilíbrio Líquido-Líquido com Pontos Consolutos de Máximo e de Mínimo | 1993 | |
| Equations of State for Chainlike Polar Fluids: A Comparison of Reference Terms | 1993 | |
| A Simple Multi-Site Occupancy Model for Multicomponent Adsorption Isotherms | 1992 | |
| Equação de Estado para o Cálculo de Equilíbrio de Fases de Misturas Fortemente Polares | 1992 | |
| Avaliação e comparação das equações de estado do SPHCT e SOAVE para o cálculo de propriedades termodinâmicas | 1992 | |
| Isoterma Simplificada para a Adsorção de Misturas Gasosas em Sólidos Heterogêneos | 1992 | |
| Reformulando o Curriculo para Transformar o Ensino | 1991 | |
| Modificação da Metodologia de Myers-Prausnitz para o Cálculo de Adsorção Multicomponente | 1989 | |
| Estudo da Secagem de Sólidos em Leito Diferencial | 1988 | |
| A Reologia de Suspensões e o Efeito de Concentração na Dinâmica de Partículas | 1988 | |
| Previsão de Solubilidade de Sólidos em Gases Comprimidos Usando a Equação de Wilson II | 1987 | |
| Simulação da Distribuição dos Tempos de Residência em Meios Porosos | 1987 | |
| Previsão de Solubilidade de Sólidos em Gases Comprimidos Usando a Equação de Wilson I | 1986 | |
| Equilíbrio Sólido-Gás em Alta Pressão. | 1984 | |
| Uso da Equação de Estado de Peng-Robinson na Previsão de Dados de Equilíbrio para Extração Supercrítica | 1984 |