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Modeling of the thermophysical properties of pure fluids (ionic liquids and components present in natural products) and thermodynamic behaviour of the phase equilibrium of mixtures

Grant number: 15/05155-8
Support type:Regular Research Grants
Duration: September 01, 2015 - August 31, 2017
Field of knowledge:Engineering - Chemical Engineering - Chemical Technology
Principal Investigator:Pedro Felipe Arce Castillo
Grantee:Pedro Felipe Arce Castillo
Home Institution: Escola de Engenharia de Lorena (EEL). Universidade de São Paulo (USP). Lorena , SP, Brazil

Abstract

Studies on correlation, prediction, and modeling of properties of fluids are subjects of constant interest and there are important discoveries from middles of last century. Without considering the hundreds of manuscripts published from that time, there are important classics in this subject. However, there are few studies and methods to estimate and to predict properties of pure ionic liquids or of mixtures containing ionic liquids. One of the main reasons for this low development has been the lack of a minimum of experimental data that allow obtaining good models. The current situation is similar to what one had in the years 90 with supercritical fluids. There are efforts to join the information on properties of ionic liquids in specialized Databases and there are some applications to separation processes. Data of phase equilibrium at high-pressures in mixtures containing ionic liquids have been also informed in the literature, but very little. However, the thermodynamic analysis of these data has been minima, principally because it disposes of little basic information (critical properties, vapor pressure, acentric factor) that allows to continue with more and better studies. The attention and interest in ionic liquids have been so intense in the recent years were carried several specific International Congresses on ionic liquids. Researches more recent and others in progress were presented in these congresses, where there also was discussed the imperious necessity of advancing in measurement, correlation and prediction researches of chemical-physical properties and phase equilibrium.Therefore, there is the current necessity for more and better data on physical, chemical-physical and thermodynamic properties of pure substances, such as ionic liquids and natural products, for the development of many processes where these fluids present extraordinary advantages, give rise to the interest of studying, analyzing and proposing methods substantiated in thermodynamic terms. These methods serve in order to determine properties such as density, critical properties, acentric factor, saturation pressure between others, which are of special interest and necessity to correlate and predict thermodynamic properties of phase equilibrium and their applications to the separation processes. On a one side, the called ionic liquids represent a group of innovatory fluids in the engineering with a tremendous and unsuspected potential in the separation processes. These ionic liquids are molten salts of organic type with fusion points under 100ºC and extremely low vapor pressures. At present, in the Chemical Industry is very necessary to develop alternative organic solvents to the current ones due to the social pressure and the more and more rigorous environmental legislations. In this sense, the ionic liquids represent an excellent option and have been catalogued like the "solvents of the future", they are also called of "green solvents". On the other side, the separation of natural products from solid or liquid mixtures can be carried out by extraction processes with supercritical fluids. These processes are relatively new and with a great potential of keeping on increasing. This research project intends to propose thermodynamic models to correlate and predict physical, chemical-physical properties of natural products and ionic liquids and the phase equilibrium of mixtures containing these substances. (AU)

Scientific publications (11)
(References retrieved automatically from Web of Science and SciELO through information on FAPESP grants and their corresponding numbers as mentioned in the publications by the authors)
FAVARETO, ROGERIO; CARVALHO DE ARAUJO, PAULO CARDOZO; BEZERRA, ISAAC DIAS; ZANETTE, ANDREIA FATIMA; ARCE, PEDRO FELIPE; FERREIRA-PINTO, LEANDRO; CARDOZO-FILHO, LUCIO. Experimental data and thermodynamics modeling (PC-SAFT EoS) of the [CO2 + chloroform plus PHBV] system at high pressures. JOURNAL OF SUPERCRITICAL FLUIDS, v. 170, APR 2021. Web of Science Citations: 0.
VARNIER, KARINE; GALVAO, ALESSANDRO C.; ARCE, PEDRO F.; ROBAZZA, WEBER S. Aqueous viscosity of carbohydrates: Experimental data, activity coefficient modeling, and prediction with artificial neural network-molecular descriptors. JOURNAL OF MOLECULAR LIQUIDS, v. 322, JAN 15 2021. Web of Science Citations: 0.
ROBLES, PEDRO A.; LOURENCO, I, NATALIA; IGARASHI, EDSON M. S.; SOUSA, MARIVONE N.; ARCE, PEDRO F. Thermodynamic Behavior of the Phase Equilibrium of Ethyl Acetate plus Ethanol plus Water Systems at Atmospheric Pressure: Experiment and Modeling. JOURNAL OF CHEMICAL AND ENGINEERING DATA, v. 65, n. 4, p. 1402-1410, APR 2020. Web of Science Citations: 0.
ARCE, PEDRO F.; GUIMARAES, DANIELA H. P.; DE AGUIRRE, LUCAS R. Experimental data and prediction of the physical and chemical properties of biodiesel. Chemical Engineering Communications, v. 206, n. 10, p. 1273-1285, OCT 3 2019. Web of Science Citations: 0.
FERREIRA-PINTO, LEANDRO; CARVALHO DE ARAUJO, PAULO CARDOZO; ARANDA SALDANA, MARLENY DORIS; ARCE, PEDRO FELIPE; CARDOZO-FILHO, LUCIO. Experimental Data and Thermodynamics Modeling (PC-SAFT EoS) of the [CO2 + Acetone plus Pluronic F-127] System at High Pressures. JOURNAL OF CHEMICAL AND ENGINEERING DATA, v. 64, n. 5, SI, p. 2186-2192, MAY 2019. Web of Science Citations: 1.
MACHADO, PATRICIA G.; GALVAO, ALESSANDRO C.; ROBAZZA, WEBER S.; ARCE, PEDRO F.; BARBOSA, LAYZE V. Phase Equilibrium Involving Xylose, Water, and Ethylene Glycol or 1,2-Propylene Glycol at Different Temperatures. JOURNAL OF CHEMICAL AND ENGINEERING DATA, v. 64, n. 5, SI, p. 2163-2169, MAY 2019. Web of Science Citations: 0.
ROSA, MARIA THEREZA M. G.; GUIMARAES, DANIELA H. P.; ARCE, PEDRO F. Experimental measurements and simulation of the fouling phenomena of natural proteins. INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER, v. 129, p. 1075-1085, FEB 2019. Web of Science Citations: 1.
GALVAO, ALESSANDRO C.; ROBAZZA, WEBER S.; ARCE, PEDRO F.; CAPELLO, CRISTIANE; HAGEMANN, DILIAN H. Experimental study and modeling of citric acid solubility in alcohol mixtures. Journal of Food Engineering, v. 237, p. 96-102, NOV 2018. Web of Science Citations: 3.
MACHADO, PATRICIA G.; GALVAO, ALESSANDRO C.; ROBAZZA, WEBER S.; ARCE, PEDRO F.; HOCHSCHEIDT, BRUNA E. Phase Equilibrium Involving Xylitol, Water, and Ethylene Glycol or 1,2-Propylene Glycol: Experimental Data, Activity Coefficient Modeling, and Prediction with Artificial Neural Network-Molecular Descriptors. Industrial & Engineering Chemistry Research, v. 57, n. 31, p. 10675-10683, AUG 8 2018. Web of Science Citations: 3.
ARCE, PEDRO F.; VIEIRA, NIAN F.; IGARASHI, EDSON M. S. Thermodynamic Modeling and Simulation of Biodiesel Systems at Supercritical Conditions. Industrial & Engineering Chemistry Research, v. 57, n. 2, p. 751-767, JAN 17 2018. Web of Science Citations: 1.
GALVAO, ALESSANDRO CAZONATTO; ROBAZZA, WEBER DA SILVA; ARCE, PEDRO FELIPE; MOCELIN, ADRIANE; PALUDO, ANANDA REGINA. Experimental study and thermodynamic modeling of xylitol and sorbitol solubility in mixtures of methanol and ethanol at different temperatures. JOURNAL OF MOLECULAR LIQUIDS, v. 248, p. 509-514, DEC 2017. Web of Science Citations: 1.

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