POSTER SESSION I

Sunday, 16:15 - 18:00

Fundamentals of Thermodynamics

FT01

Effects of Electrolyte Concentration on the Solubility of Toluene and Ethyl Acetate in Aqueous Solutions

Ana F.P. de Campos, Mauro L.N. de Oliveira, Moilton R. Franco Jr

FT02

The Solubility of Some Acids in Pure Solvents

Mauro L.N. de Oliveira, Moilton R. Franco Jr

FT03

Vapor Liquid Equilibrium for Binary System of Tetrahydrothiophene + 2,2,4-Trimethylpentane and Tetrahydrothiophene + 2,4,4-Trimethyl-1-Pentene at 358.15 K and 368.15 K

Erlin Sapei, Petri Uusi-Kyyny, Kari I. Keskinen, Juha-Pekka Pokki, Ville Alopaeus

FT04

Computer-Based Modeling and Simulation for the Catalase Reaction Mechanism

Inara T. Nagieva, Tofik M. Nagiev

FT05

High-Pressure Solubility Modeling of Blowing Agents in LDPE using Non-cubic EOS

Pedro F. Arce, Martín Aznar

FT06

Simple Modification of van der Waals Equation of State Leading to the Correct Coexistence Densities

Francisco L.R. Hernández, Ángel M. Díaz

FT07

New Two-Reference-Fluids Model for the Estimation of the Vaporization Enthalpy

Isidro Cachadiña, Ángel M. Díaz

FT08

Vaporization Enthalpy of Pure Refrigerants. Comparative Study of Very Recent Correlation Equations

Ángel M. Díaz, Maria I. Parra, Francisco L. Román, Kyoung K. Park

FT09

Hydrate Formation from Vapour Phase: Experimental Measurement and Modeling by using an Association Equation of State

Ziad Youssef, Pascal Mougin, Alain Barreau, Jacques Jose, Ilham Mokbel

FT10

Study of the Temperature Influence on Liquid-Liquid Equilibria of System 2-Butanone + 2-Butanol + Water

Javier de la Torre, Amparo Cháfer, Nelson F. Martínez, Estela Lladosa

FT11

Comparison between Neural Network and PC-SAFT and Peng-Robinson EoS Modeling of High-Pressure Vapor-Liquid Equilibrium of Three {Nitrogen - n-Alkane} Binaries

Cherif Si-Moussa, Salah Hanini, Ratiba Derriche, Tariq Omari

FT12

Estimation of Compositions of Distillation Products using Neural Networks: Application of Levenberg-Marquardt Algorithm

Leandro O. Werle, Joel G. Teleken, Cintia Marangoni, Cláudia Sayer, Ricardo A.F. Machado

FT13

LLE and LVE for Binary Systems Containing Water with an Alkane or Aromatic Hydrocarbon using Polar GC-PC-SAFT

Dong Nguyenhuynh, Jean-Charles De Hemptinne, Rafael Lugo, Jean-Philippe Passarello, Pascal Tobaly

FT14

Molar Volume Equation for Carbon Dioxide + Solvent Mixtures at High Pressures

Masahiro Kato, Kensuke Ohashi, Atsushi Sato, Masaki Kokubo, Daisuke Kodama

FT15

Modeling of the Three-Phase Equilibrium in Systems of the Type Water + Nonionic Surfactant + Alkane

Christina Browarzik, Dieter Browarzik, Jochen Winkelmann

FT16

Calculations of Surface Tension and Viscosity using Equation of State for Square-Well Chain Fluid with Variable Interaction Range

Jinlong Li, Changchun He, Jun Ma, Changjun Peng, Honglai Liu

FT17

Permittivity and Density of the Systems (Diglyme or Tetraglyme + Heptane) at Several Temperatures

César F. Riadigos, Ruth Iglesias, Miguel A. Rivas, Teresa P. Iglesias

FT18

Isobaric Vapour-Liquid Equilibria for Binary Systems of [C4mim] [NTf2] and [C8mim] [NTf2] with Acetates at 101.32 kPa

Alfonsina E. Andreatta, Alberto Arce, Alberto Arce Jr., Eva Rodil, Ana Soto

FT19

Modeling Phase Equilibria for Systems with Vegetable Oils

Beatriz A. Mandagarán, Enrique A. Campanella

FT20

Excess Enthalpies of Binary and Ternary Mixtures Containing Dibutyl ether (DBE), 1-Butanol and Cyclohexane at 313.15 K

Fatima Alaoui, Fernando Aguilar, José J. Segovia, Miguel A.Villamañán , Eduardo A. Montero

FT21

Evaluation of Prediction Methods for Critical Properties and Molecular Weight of Hydrocarbons and Petroleum Fractions

Luiz G. Lopreato, Thiago B. Sicchieri, Marco A. Farah, Márcio Paredes, Krishnaswamy Rajagopal

FT22

Temperature Dependence of Molecular Parameters in Equations of State

Hector Bastida, Claudio G. Olivera-Fuentes, Jurgen Vargas

FT23

Adsorption Thermodynamics of Metal Ions on Foamed Chitosan

Wladyslaw L. Kaminski, Elwira T. Tomczak, Urszula Wilicka

FT24

Determination of Styrene-TBC and Styrene-Water Equilibrium Data for the Purification of Monomers

Gabriel Ovejero, Maria D. Romero, Ismael Díaz, Eduardo Díez

FT25

Correlation of Isobaric Ternary Vapor-Liquid Equilibrium Data by the Extended GE Equations

Elena Graczová, Pavol Steltenpohl, Matúš Chlebovec

FT26

Determination of Solubility Parameters of Styrene-Butadiene-Styrene Triblock Copolymers by Means of Intrinsic Viscosity

Gabriel Ovejero, Maria D. Romero, Eduardo Díez, Ismael Díaz

FT27

Liquid-Liquid Equilibrium Data of Limonene + Octanal + Solvent Systems

Maria D. Romero, Eduardo Díez, Pilar Velasco, Ismael Díaz, José M. Gómez

FT28

Solid-Liquid Equilibrium in Crude Oils: Wax Deposition Study to Solve Flow Assurance Problems

Baudilio Coto, Carmen Martos, Juan J. Espada, Maria D. Robustillo, Jose L. Peña

FT29

Isobaric Vapor-Liquid-Liquid Equilibrium and Vapor-Liquid Equilibrium for the Quaternary System Water - Ethanol - Cyclohexane - Isooctane at 101.3 kPa

Ana Pequenín, Juan C. Asensi, Nereida Sánchez, Vicente Gomis

FT30

Analitical Determination of Distillation Boundaries for Ternary Azeotropic Systems

Antonio Marcilla, Juan A. Reyes-Labarta, Raul Velasco, María D. Serrano, María M. Olaya

FT31

Excess Molar Enthalpies of Mixtures Containing 2-Methoxy-2-Methylpropane, Ethanol, Nonane

Marta M. Mato, Monica Illobre, Pedro V. Verdes, Jose L. Legido, Inmaculada P. Andrade

FT32

Robust Program for Simultaneous Correlation of LLSE of Ternary Systems

Antonio Marcilla, María M. Olaya, María D. Serrano, Juan A. Reyes-Labarta

FT33

Explicit Equation to Calculate the Liquid-Vapour Equilibrium for Ternary Azeotropic and Non Azeotropic Systems

Antonio Marcilla, Juan A. Reyes-Labarta, Raul Velasco, María D. Serrano, María M. Olaya

FT34

Prediction of Isobaric Vapor-Liquid Equilibrium Data of Quaternary Systems

Elena Graczová, Pavol Steltenpohl, Matúš Chlebovec

FT35

PVT Property and Surface Tension Measurements for Ethanol from 278.15 to 353.15 K and up to 35 MPa

Filipe M.M. Gonçalves, Ana R. Trindade, Abel G.M. Ferreira, Isabel M.A. Fonseca

FT36

Prediction of Liquid-Liquid Equilibria in Water + Hydrocarbon Mixtures with Group-Contribution Models: A Critical Evaluation and Improvements

Pawel Oracz, Marian Góral

FT37

Kinetics of Asphaltene Aggregation in Aromatic Solvents Through Light Scattering Measurements

Florencia W.R. Rivarola, Rhutesh Shah, Lilian C. Medina, Maria R.W. Maciel, David A. Weitz

FT38

Experimental Measurement and Correlation of Solubility of Gamma-Oryzanol in Different Organic Solvents

Maitê S. Cuevas, Christianne E.C. Rodrigues, Mariana C. Costa, Antonio J.A. Meirelles

FT39

High Pressure Phase Equilibria of Squalene + Carbon dioxide: Experimental Measurement and Thermodynamic Modeling

Elvis J. Hernández, Francisco J. Señoráns, Guillermo Reglero, Tiziana Fornari

Molecular Simulation

MS1

Transferable Force Field for Alcohols and Polyalcohols

Nicolas Ferrando, Véronique Lachet, Jean-Marie Teuler, Anne Boutin

MS2

Molecular Simulation of Swelling Behaviors of Coal Molecules

Toshimasa Takanohashi

MS3

Modeling Specific Ion Effects in Solutions of Biomacromolecules and Classical Ionic Surfactants

Sofia V. Koroleva, Alexey I. Victorov

MS4

Excess Thermodynamic Properties of Mixtures Involving Xenon and Light Alkanes: A Study of their Temperature Dependence by Computer Simulation

Luís F.G. Martins, Alfredo P. P. Carvalho, João P.P. Ramalho, Eduardo J.M. Filipe

MS5

Molecular Simulation of Absolute Hydration Free Energies of Polar Compounds

Nuno M. Garrido, António J. Queimada, Miguel Jorge,Ioannis G. Economou, Eugénia A. Macedo

MS6

Predicting the Hydration Free Energy of Psychotropic Drugs from Molecular Simulation

Nuno M. Garrido, António J. Queimada, Miguel Jorge, Ioannis G. Economou, Eugénia A. Macedo

Product & Process Design

PPD1

Use Simulis® Thermodynamics to Fill the Gap in UNIFAC Matrices

Olivier Baudouin, Stéphane Déchelotte, Alain Vacher, Abdelatif Baba-Ahmed

PPD2

CFD Simulation of Multiphase Flow in a Sieve Tray of a Distillation Column

Joel G. Teleken, Leandro O. Werle, Cintia Marangoni, Marintho B. Quadri, Ricardo A.F. Machado

PPD3

Ionic Liquid [C6mmpy][Ntf2] as Solvent for Extraction of Sulfur and Nitrogen-Containing Compounds from Fuels

Luisa Alonso, Alberto Arce, Maria Francisco, Ana Soto

PPD4

A Semicontinuous Thermodynamic Model for Prediction of Asphaltene Precipitation

Ali Eslamimanesh, Alireza Shariati

PPD5

Effect of Water Salinity on Water Activity in Methane Hydrate Formation in Porous Media

Alireza Pesaran and Alireza Shariati

New Products/materials - Properties & Applications

NPA1

Phase Equilibria of Biopolymer and Supercritical Fluids

Denise S. Conti, Lúcio Cardozo-Filho, Sérgio H. Pezzin, Luiz A.F. Coelho

NPA2

Metal Modified Mesoporous Material MCM-41 and Its Application in CO2 Capture from Flue Gas

Jun Hu, Changyong Jing, Huiling Zhao, Hongpei Cai, Honglai Liu

NPA3

Thermophysical Caharaterization of Peloids from Termas de Rio Hondo (Argentina) for Therapeutics Uses

José L. Legido, María L. Mourelle, Carlos Medina, Carmen P. Gomez, Paloma Navia, Luis Romani

NPA4

Supercritical Carbon Dioxide Hyssop Extraction

Vladan Micic, Milovan Jotanovic, Zika Lepojevic, Goran Tadic, Branko Pejovic

NPA5

Polypropylene Membranes Modified by Acetone Aldol Condensation Products as Separators in Silver-Zinc Cells

Bo?ena Rydzy?ska, Aleksander Ciszewski

NPA6

Phase Behavior and Thermodynamics of Clathrate Hydrate Systems of Carbon Dioxide in Presence of Tetrahydrofuran and Electrolytes

Khalik M. Sabil, Geert-Jan Witkamp, Cor J. Peters

Green Engineering & Sustainability  +   Alternative/Sustainable Energy

GAS01

Liquid-Liquid Equilibrium of Ternary Systems 1-Octyl-3-methylimidazolium Hexafluorophosphate + Aromatic + Aliphatic

Raquel M. Maduro, Martín Aznar

GAS02

Modeling of High-Pressure Vapor-Liquid Equilibrium in Ionic Liquids + Gas Systems using the PRSV Equation of State

Pedro F. Arce, Pedro A. Robles, Teófilo A. Graber, Martín Aznar

GAS03

High-Pressure Phase Behavior of CO2/Ionic Liquid/Dianix Red 60 System

Helen R. Mazzer, André Zuber, Vladimir F. Cabral, Adley F. Rubira, Washington F. Santos, Cláudio Dariva, Octávio A.C. Antunes, Lúcio Cardozo-Filho

GAS04

Phase Equilibria in n-Dodecane + Dibenzothiophene + Ionic Liquid Systems - A Study of Extractive Desulfurization

Leonardo H. Oliveira, Martín Aznar

GAS05

Ionic liquid Effect on the Solubility of Carbon Dioxide and Methane in Glycols at Different Temperatures and Pressures

Alessandro C. Galvão, Artur Z. Francesconi

GAS06

Study of the Behaviour of the Azeotropic Mixture Ethanol-Water with Different Ionic Liquids

Elena Gómez, Noelia Calvar, Begoña González, Angeles Domínguez, Eugénia A. Macedo

GAS07

Benzene Separation from Hexane and Heptane using 1-Ethyl-3-Methyl Pyridinium Ethylsulfate and 1-Ethyl Pyridinium Ethylsulfate Ionic Liquids

Emilio J. González, Irene Domínguez, Elena Gómez, Angeles Domínguez, Eugénia A. Macedo

GAS08

Liquid-Liquid Equilibria for Ternary Systems 1-Ethyl-3-Methylpyridinium Ethylsulfate + Aromatics + Cyclohexane

Irene Domínguez, Emilio J. González, Begoña González, José Canosa

GAS09

Essential Oil Terpenless by Solvent Extraction using Ionic Liquid 1-Ethyl-3-Methylimidazolium 2-(2-methoxyethoxy) Ethylsulphate

Alberto Arce, Maria Francisco, Sara Lago, Borja Rodríguez, Ana Soto

GAS10

Desulphurisation of Gasolines by Solvent Extraction with the Ionic Liquid 1-Ethyl-3-Methylimidazolium Bis{(trifluoromethyl)sulfonyl}--amide: A Liquid-Liquid Equilibrium and Interfacial Tension Study

Alberto Arce, Maria Francisco, Hector Rodríguez, Ana Soto

GAS11

Decontamination of PAHs Polluted Soil by using a Clean Agent: the Electric Current

Teresa Alcántara, Jose Gómez, Marta Pazos, Angeles Sanromán

GAS12

Optimization of Bioethanol Fermentation Process Coupled with a Vacuum Flash Evaporator

Tassia L. Junqueira, Marina O.S. Dias, Carlos E.V. Rossell, Rubens M. Filho, Maria R.W. Maciel, DanieI P. Atala

GAS13

Simulation of Distillation Process in Bioethanol Production using Barros & Wolf Efficiency Correlation

Tassia L. Junqueira, Rubens M. Filho, Maria R.W. Maciel

GAS14

Linseed Oil Obtained with Supercritical Fluid Extraction: Modeling of the Overall Extraction Curves

Elisângela L. Galvão, Livia M. Lazzari, Julian Martínez, Elisa M.B.D. Sousa

GAS15

Synthesis and Physical Properties of New Protic Ionic Liquids

Cristina González, Miguel Iglesias, Esther Marijuan

GAS16

Solvent Swelling Thermodynamics of Kukersite and Dictyonema Kerogens

Jelena Hruljova, Natalja Savest, Kristel Kilk, Vahur Oja

GAS17

Measuring Solubilities of Carbonyl Sulfide Containing Gaseous Mixtures in Glycol Aqueous Solutions Using a Static Analytic Technique with Two Micro Samplers

Waheed Afzal, Amir H Mohammadi, Dominique Richon

GAS18

Biodiesel Production by Transesterification of Borraje Oil with Supercritical Methanol: Effects of the Operation Conditions

Lourdes Casas, Juan R. Portela, Casimiro Mantell, Jezabel Sánchez, Miguel Rodríguez, Enrique M. de la Ossa

GAS19

What is the Fraction of Fossil CO2 in the Atmosphere?

Luciano Lepori, Gian C. Bussolino, Enrico Matteoli, Andrea Spanedda

GAS20

Phase Equilibria Modeling of Biodiesel Related Mixtures using the GCA-EoS Model

Alfonsina E. Andreatta, Rafael Lugo, Jean-Charles de Hemptinne, Esteban A. Brignole, Susana B. Bottini

GAS21

Hydrogen Solubility in Water and Organic Oxygenated Solvents Modeling with the GCA-EoS

Selva Pereda, Rafael Lugo, Jean-Charles de Hemptinne, Esteban A. Brignole

GAS22

A-UNIFAC Modelling of Binary and Multicomponent Phase Equilibria of Fatty Esters+Water+Methanol+Glycerol

Nuno M. Garrido, Olga Ferreira, Rafael Lugo, Jean-Charles de Hemptinne, Eugénia A. Macedo, Susana B. Bottini

GAS23

Solvent-Free Enzymatic Synthesis of Decyl Acetate: The "Cherry on Top"?

Manuela V. Oliveira, Lucília S. Ribeiro, Sílvia F. Rebocho, Adriano S. Ribeiro, Eugénia A. Macedo, José M. Loureiro

Biomolecules & Biotechnology

BB1

Extraction of Spilanthol from Spilanthes Acmella Var Oleraceae with Supercritical CO2

Vanessa M.S. Cavalcanti, Martín Aznar, Sílvio A.B.V. de Melo, Frederico G. Cruz

BB2

Monitoring of Dynamic Protein Binding on the Surface of (magneto)Liposomes

Stefaan J.H. Soenen, Nele Nuytten, Tine Ysenbaert, Lien Defour, Jesse Trekker, Marcel De Cuyper

BB3

Thermodynamics of Oil Extraction from Soybean using Ethanol as Solvent

Fernanda N. Abreu, Keila K. Aracava, Christianne E.C. Rodrigues

BB4

Thermophilic Microorganisms from North Western Spain Hot-springs: Application to Dye Decolourization

Francisco J. Deive, Angeles Domínguez, T. Barrio, Maria A. Longo, Angeles Sanromán

BB5

Protein Partitioning in PEG-Amino Acid Conjugate Polymer/Salt Aqueous Two-Phase Systems

Luísa A. Ferreira, Sara C. Silvério, José A. Martins, João C. Marcos, Eugénia A. Macedo, José A. Teixeira

BB6

Extraction of trans-Lycopene from Tomato Industrial By-Products using Supercritical Fluids

Beatriz P. Nobre, António F. Palavra, Rui L. Mendes

BB7

LLE for (Water + Ionic liquid) Binary Systems using [Cxmim][BF4] (x = 6, 8 and 10) Ionic Liquids

Filipa M. Maia, Oscar Rodríguez, Eugénia A. Macedo

BB8

Temperature and Solvent Effects in the Solubility of Some Drugs: Experimental and Modeling

Fátima L. Mota, António J. Queimada, Simão P. Pinho, Eugénia A. Macedo

BB9

The Collander Equation in Polymer-Salt ATPS

Sara C. Silvério, Oscar Rodriguez, José A. Teixeira, Eugénia A. Macedo

Education

EDU1

Java: An Important Tool to Learning Thermodynamics

Abel G.M. Ferreira

EDU2

A Reexamination of Le Chatelier's Principle

Corey M. Colina, Claudio G. Olivera-Fuentes

EDU3

XSEOS: An Educational Software for Thermodynamics - Latest Developments and Future Perspectives

Marcelo Castier, Mohamed M. Amer

EDU4

Thermodynamic Equilibrium Diagrams Made Easy in Command Driven Computer Environments

Francisco A.S. Freitas