Vapor-liquid equilibrium for binary systems ethanol (1) and water (2) and methyl acetate (1) and ethanol (2): Thermodynamic consistency and data prediction / Equilíbrio líquido-vapor para os sistemas binários etanol (1) e água (2) e metil acetato (1) e etanol (2): Consistência termodinâmica e predição de dados

Ethanol or ethyl alcohol is an organic substance obtained from fermentation of sugars, hydration of ethylene or reduction of acetaldehyde. It consists of two carbon atoms, five hydrogen atoms and one hydroxyl group. It is the main biofuel used in the world, it is a renewable energy source and alternative to fossil fuels. In Brazil in 1975 was launched by the Federal Government the National Alcohol Program to combat the rampant use of oil and encourage the planting of sugar cane in the country. Given the importance of the use of ethanol, it is extremely important to know its thermodynamic properties for process optimization making them more energy efficient, as well as for the design of new industrial plants and equipment for the various processes. This work has as objective the study of Vapor-Liquid Equilibrium (VLE) of binary systems with ethanol, being the first ethanol (1) - water (2) and the second methyl acetate (1) + ethanol (2). To verify the thermodynamic consistency test of the data, the area test was applied, tested in the computational routine consist.exe and a data prediction was simulated in SPECS. The tests provide results of data consistency as well as the predator or VLE behavior of the binary systems studied for high pressure and temperature situations

Consistency test and prediction of experimental data from binary systems methanol + acetic acid and methanol + water in vapor-liquid equilibrium / Teste de consistência e predição de dados experimentais dos sistemas binários metanol + ácido acético e metanol + água em equilíbrio líquido-vapor

Methyl acetate is generally used as an intermediate in a wide variety of syntheses, it can be produced by esterification of acetic acid with methanol in the presence of an acid catalyst. Methanol and water form azeotropic mixtures along this route, making the separation and purification of methyl acetate difficult and expensive. A thermodynamic study is essential, evaluating the operating conditions and thermodynamic properties of methanol/acetic acid and methanol/water. Therefore, this work aims to perform area and deviations consistency tests of experimental data to these binary mixtures. In addition, perform a prediction of experimental data from the UNIFAC, UNIQUAC and Hildbrand & Scatchard thermodynamic models. The tests provide a predictive behavior on the studied Vapor-Liquid Equilibrium (VLE) systems and its main operating variables, such as temperature, pressure and composition. Methyl acetate is generally used as an intermediate in a wide variety of syntheses, it can be produced by esterification of acetic acid with methanol in the presence of an acid catalyst. Methanol and water form azeotropic mixtures along this route, making the separation and purification of methyl acetate difficult and expensive. A thermodynamic study is essential, evaluating the operating conditions and thermodynamic properties of methanol/acetic acid and methanol/water. Therefore, this work aims to perform area and deviations consistency tests of experimental data to these binary mixtures. In addition, perform a prediction of experimental data from the UNIFAC, UNIQUAC and Hildbrand & Scatchard thermodynamic models. The tests provide a predictive behavior on the studied Vapor-Liquid Equilibrium (VLE) systems and its main operating variables, such as temperature, pressure and composition.

Simulation of liquid-liquid extraction to recover citric acid using 1-Butanol as solvent / Simulação da extração líquido-líquido para recuperar ácido cítrico usando 1-Butanol como solvente

O ácido cítrico é um ácido orgânico fraco que pode ser encontrado nos citrinos, com diversas aplicações industriais. O processo de separação por extração líquido-líquido pode ser usado para a recuperação do ácido cítrico, a partir de seu caldo de fermentação. O objetivo desse trabalho foi simular no software Aspen Plus o processo de recuperação do ácido cítrico usando como solvente o 1-butanol. Foram coletados da literatura dados experimentais de equilíbrio líquido-líquido para o sistema água + 1-butanol + ácido cítrico, nas temperaturas de 5,5 °C, 15 °C e 25 ºC, e posteriormente à aplicação das correlações de Othmer-Tobias e Hand foi possível assegurar a consistência termodinâmica desse conjunto de dados. O modelo termodinâmico NRTL foi utilizado, e seus parâmetros foram ajustados pelo código do TML. Com os resultados obtidos, pôde-se afirmar que houve recuperação do ácido cítrico, e a quantidade de solvente utilizado dependerá da concentração de ácido cítrico o qual é alimentado ao processo

Liquid-liquid equilibrium for water furfural extraction using different solvents and temperatures in the software aspen plus / Equilíbrio líquido-líquido para extração de furfural da água usando diferentes solventes e temperaturas no software aspen plus

The thermodynamic study of liquid-liquid equilibrium (LLE) can provide insights for understanding the process of furfural extraction of water by extraction in biorefinery plants, which produces high value-added products. The present work aimed to use the LLE of the water (1) + fufural (2) + solvent (3) system from experimental data and computer modeling for simulation or liquid-liquid extraction behavior using different solvents, verifying its efficiencies. The solvents studied were p-xylene, toluene, benzyl alcohol, acetophenone and methyl isobutyl. The thermodynamic NRTL model was able to monitor well the studied system. With a simulation run on Aspen Plus®, verify that the system adopted is an economically viable process