This document presents experimental liquideliquid equilibrium (LLE) data for the ternary system of n-hexane, ethyl acetate, and acetonitrile measured at 298.15 K, 308.15 K, and 318.15 K. The NRTL and UNIQUAC models were used to correlate the LLE data. Distribution coefficients and separation factors were also calculated from the LLE data, showing that acetonitrile could be used to extract ethyl acetate from n-hexane.
Isobaric vapor liquid equilibrium for binary mixtures of 3 methyl 1 butanol 3...Josemar Pereira da Silva
This document presents experimental vapor-liquid equilibrium data for the binary mixtures of 3-methyl-1-butanol + 3-methyl-1-butyl ethanoate and 1-pentanol + pentyl ethanoate at 101.3 kPa. Vapor pressure measurements were made for the pure components using a Swiestoslawski apparatus. Vapor-liquid equilibrium data were obtained using an equilibrium still. Activity coefficients were calculated and correlated using thermodynamic models like Wilson, NRTL, and UNIQUAC. The mixtures were found to not form azeotropes.
Influence of temperature on the liquid liquid equilibria of methanol benzene ...Josemar Pereira da Silva
This document summarizes a study on the liquid-liquid equilibria of the ternary system composed of methanol, benzene, and hexane at temperatures of 278.15 K, 283.15 K, and 293.15 K. Equilibrium data including component mass fractions in each phase are reported for the three temperatures. The data are compared to literature data and correlated using various models including Othmer and Tobias, NRTL, and UNIFAC. The results show that temperature influences the liquid-liquid equilibrium behavior of the system.
To Study The Viscometric Measurement Of Substituted-2-Diphenylbutanamide And ...IOSR Journals
Recently in this laboratory the viscometric measurement of 4-[4-(4-chlorophenyl]-4-hydroxy piperidin-1-yl]-N, N-dimethyl-2, 2-diphenylbutanamide[CPHDD] and (2S, 6R)-7-chloro -2, 4, 6-trimethoxy-6'-methyl-3H, 4'H-spiro[1-benzofuran 2, 1’-] cychohex-2-ene]-3,4'-dione[CTMBCD] were carried out at different percentage compositions of solvent to investigate the solute-solvent interactions of drugs with solvent and the effect of dilution of the solvent. The effects of various substituents were also investigated. The results obtained during this investigation gave detail information about pharmacokinetics and pharmacodynamics of these drugs.
This document reviews normalization procedures and reference material selection for stable isotope analyses. It discusses that normalization methods using linear regression based on two or more reference standards are preferred over single-point normalization or normalization to a working gas. Using multiple reference standards that span the expected range of sample δ values and performing replicate measurements can reduce uncertainty by 50%. While chemical matching between reference materials and samples is important for some materials and techniques, like δ18O of nitrate or δ2H of hair, it is not always necessary. To ensure comparability, laboratories should report details of their normalization procedures and reference materials.
Volumetric analysis involves determining the concentration of a substance by measuring the volume occupied. It is commonly used to determine the unknown concentration of a known reactant through a titration process, where one solution of known concentration and volume is used to react with another substance of unknown concentration until the reaction is complete. The volume of the known solution used is then used to calculate the concentration of the unknown substance. Accuracy in volumetric analysis relies on the use of standardized solutions of primary standards with known concentrations.
Ultrasonic and Volumetric Investigations of -Butyrolactone with Aliphatic Al...IJERA Editor
Densities () and speeds of sound (u) have been determined for the binary liquid mixtures of -butyrolactone (GBL) with 1-propanol (1-Pro), 2-propanol (2-Pro), 1-butanol (1-But) and 2-butanol (2-But) at 303.15, 308.15, and 313.15 K and entire composition range. From the experimental results, the excess molar volume (VE), and deviation in isentropic compressibility (s) were calculated. The computed properties have been fitted to a Redlich-Kister type polynomial equation to derive binary coefficients and standard deviations.
The document presents a new two-constant equation of state that modifies the attractive pressure term of the van der Waals equation. Examples show the new equation provides improved predictions of liquid densities and phase behavior for single- and multi-component systems compared to the Soave-Redlich-Kwong equation. The development outlines determining parameters from critical properties and vapor pressure data, and using mixing and interaction rules to extend the equation to mixtures. Comparisons demonstrate the new equation performs as well or better than the Soave-Redlich-Kwong equation in all cases tested, with its greatest advantage in predicting liquid phase densities.
Isobaric vapor liquid equilibrium for binary mixtures of 3 methyl 1 butanol 3...Josemar Pereira da Silva
This document presents experimental vapor-liquid equilibrium data for the binary mixtures of 3-methyl-1-butanol + 3-methyl-1-butyl ethanoate and 1-pentanol + pentyl ethanoate at 101.3 kPa. Vapor pressure measurements were made for the pure components using a Swiestoslawski apparatus. Vapor-liquid equilibrium data were obtained using an equilibrium still. Activity coefficients were calculated and correlated using thermodynamic models like Wilson, NRTL, and UNIQUAC. The mixtures were found to not form azeotropes.
Influence of temperature on the liquid liquid equilibria of methanol benzene ...Josemar Pereira da Silva
This document summarizes a study on the liquid-liquid equilibria of the ternary system composed of methanol, benzene, and hexane at temperatures of 278.15 K, 283.15 K, and 293.15 K. Equilibrium data including component mass fractions in each phase are reported for the three temperatures. The data are compared to literature data and correlated using various models including Othmer and Tobias, NRTL, and UNIFAC. The results show that temperature influences the liquid-liquid equilibrium behavior of the system.
To Study The Viscometric Measurement Of Substituted-2-Diphenylbutanamide And ...IOSR Journals
Recently in this laboratory the viscometric measurement of 4-[4-(4-chlorophenyl]-4-hydroxy piperidin-1-yl]-N, N-dimethyl-2, 2-diphenylbutanamide[CPHDD] and (2S, 6R)-7-chloro -2, 4, 6-trimethoxy-6'-methyl-3H, 4'H-spiro[1-benzofuran 2, 1’-] cychohex-2-ene]-3,4'-dione[CTMBCD] were carried out at different percentage compositions of solvent to investigate the solute-solvent interactions of drugs with solvent and the effect of dilution of the solvent. The effects of various substituents were also investigated. The results obtained during this investigation gave detail information about pharmacokinetics and pharmacodynamics of these drugs.
This document reviews normalization procedures and reference material selection for stable isotope analyses. It discusses that normalization methods using linear regression based on two or more reference standards are preferred over single-point normalization or normalization to a working gas. Using multiple reference standards that span the expected range of sample δ values and performing replicate measurements can reduce uncertainty by 50%. While chemical matching between reference materials and samples is important for some materials and techniques, like δ18O of nitrate or δ2H of hair, it is not always necessary. To ensure comparability, laboratories should report details of their normalization procedures and reference materials.
Volumetric analysis involves determining the concentration of a substance by measuring the volume occupied. It is commonly used to determine the unknown concentration of a known reactant through a titration process, where one solution of known concentration and volume is used to react with another substance of unknown concentration until the reaction is complete. The volume of the known solution used is then used to calculate the concentration of the unknown substance. Accuracy in volumetric analysis relies on the use of standardized solutions of primary standards with known concentrations.
Ultrasonic and Volumetric Investigations of -Butyrolactone with Aliphatic Al...IJERA Editor
Densities () and speeds of sound (u) have been determined for the binary liquid mixtures of -butyrolactone (GBL) with 1-propanol (1-Pro), 2-propanol (2-Pro), 1-butanol (1-But) and 2-butanol (2-But) at 303.15, 308.15, and 313.15 K and entire composition range. From the experimental results, the excess molar volume (VE), and deviation in isentropic compressibility (s) were calculated. The computed properties have been fitted to a Redlich-Kister type polynomial equation to derive binary coefficients and standard deviations.
The document presents a new two-constant equation of state that modifies the attractive pressure term of the van der Waals equation. Examples show the new equation provides improved predictions of liquid densities and phase behavior for single- and multi-component systems compared to the Soave-Redlich-Kwong equation. The development outlines determining parameters from critical properties and vapor pressure data, and using mixing and interaction rules to extend the equation to mixtures. Comparisons demonstrate the new equation performs as well or better than the Soave-Redlich-Kwong equation in all cases tested, with its greatest advantage in predicting liquid phase densities.
Thermal analysis methods like thermogravimetry (TG) and differential scanning calorimetry (DSC) can be used to quantitatively determine the composition of water-in-oil emulsions. TG allows determining the water content through isothermal measurements, while successive heating and cooling in DSC enables determining the amount of ammonium nitrate. If sodium nitrate is also present, it and ammonium nitrate must first be separated from organic matter using diethyl ether before TG. The ratio of ammonium nitrate to sodium nitrate can then be determined from their binary phase diagram.
Partial gibbs free energy and gibbs duhem equationSunny Chauhan
Partial gibbs free energy and gibbs duhem equation,relation between binary solution,relation between partiaL properties,PARTIAL PROPERTIES,PARTIAL PROPERTIES IN BINARY SOLUTION,RELATIONS AMONG PARTIAL PROPERTIES,Maxwell relation,Examples
This document presents a new two-parameter model for predicting the thermal conductivity of liquids. The model is derived based on theories of molecular dynamics, liquid free volume, and the authors' previous model for estimating heat of vaporization. Thermal conductivity data for 68 liquids over a wide range of temperatures are fitted using the model and compared to other existing models, showing good agreement. Key parameters A and B are determined for different liquids to allow calculation of thermal conductivity at any temperature within the studied ranges.
This document presents a new two-parameter model for predicting the thermal conductivity of liquids. The model is derived based on theories of molecular dynamics, liquid free volume, and the authors' previous model for estimating heat of vaporization. Thermal conductivity data for 68 liquids over a wide range of temperatures are fitted using the model and compared to other existing models, showing good agreement. Key parameters A and B are determined for different liquids to allow calculation of thermal conductivity based on fundamental physical property data.
1) FTIR was used to obtain spectra of organic solvents and oils to identify an unknown oil sample. PCA analysis was performed to reduce redundant data and produce PCA scores.
2) PCA plots of scores 1 vs 2 produced clear clusters for solvents and oils, allowing identification of the unknown oil as safflower oil. Key distinguishing wavenumber regions were below 1700 cm-1.
3) Higher wavenumber regions produced overlapping clusters, as solvents and oils shared common carbon-carbon bond features not distinguishable by FTIR.
This document discusses a method for calculating the excess viscosity of liquid mixtures without knowing the theoretical viscosity values. Experimental viscosities were measured for water, ethanol-water mixtures, and methanol-water mixtures at 308K using a capillary viscometer. The excess viscosities were then calculated using a modified logarithmic viscosity equation. The excess viscosities for both ethanol-water and methanol-water mixtures were negative over the entire concentration range, with minima around 35-40% water concentration. This indicates a deviation from ideal behavior. The method allows excess viscosity to be determined from experimental data alone without requiring theoretical viscosity values.
Qualitative and Quantitative Analysis, Empirical and Molecular FormulaFawad Mueen Arbi
This document discusses qualitative and quantitative analysis, empirical and molecular formulas, and combustion analysis. It provides details on:
- The differences between qualitative analysis, which identifies substances, and quantitative analysis, which determines amounts.
- How empirical formulas represent the simplest whole number ratio of elements in a compound and molecular formulas use actual atom counts.
- The process of combustion analysis, where a compound is burned and the products analyzed to determine the empirical formula based on the amounts of carbon dioxide and water produced.
308 two dimensional infrared correlation nodaIsao Noda
1) The document examines the self-assembly of oleic acid (OA) molecules during the evaporation of a binary mixture solution of OA and carbon tetrachloride using two-dimensional infrared (2D IR) correlation spectroscopy and eigenvector manipulating transformation (EMT) technique.
2) Conventional 2D correlation analysis of the infrared spectra showed changes dominated by the dimer components of OA, obscuring minor contributions. EMT was used to partially attenuate the dominant first principal component, selectively enhancing minor monomer features.
3) The EMT-enhanced 2D correlation spectra better resolved overlapping peaks into distinct monomer, dimer, and cluster populations, revealing each had a different absorption band and intensity variation during self
This document provides an overview of Chapter 6 from a general chemistry textbook. The chapter covers the key topics of gases, including gas laws, kinetic molecular theory, gas properties and behavior, gas mixtures, and real gases. It includes definitions of terms like pressure, the gas laws of Boyle, Charles, Avogadro, Dalton's law of partial pressures, effusion and diffusion. Equations like the ideal gas law, van der Waals equation and Graham's law are presented. Examples are provided to demonstrate applications of concepts to stoichiometry and determining molar mass.
International Journal of Engineering Research and Applications (IJERA) is an open access online peer reviewed international journal that publishes research and review articles in the fields of Computer Science, Neural Networks, Electrical Engineering, Software Engineering, Information Technology, Mechanical Engineering, Chemical Engineering, Plastic Engineering, Food Technology, Textile Engineering, Nano Technology & science, Power Electronics, Electronics & Communication Engineering, Computational mathematics, Image processing, Civil Engineering, Structural Engineering, Environmental Engineering, VLSI Testing & Low Power VLSI Design etc.
Abraham model correlations for ionic liquid solvents computational methodolog...Bihan Jiang
The document describes a computational methodology for updating existing Abraham model ion-specific equation coefficients using new experimental solubility and partition coefficient data for ionic liquid solvents. Specifically, it illustrates updating the coefficients for the trifluoroacetate anion based on 51 data points from three ionic liquid solvents containing that anion. The updated coefficients have significantly smaller standard errors and are able to better predict solubility and partition behavior in the three ionic liquids based on the increased data. The methodology allows coefficients to be refined as new data becomes available without needing to re-regress the entire Abraham model data set.
The document discusses ideal gas mixtures and their thermodynamic properties. Some key points include:
- According to Dalton's law, each component of an ideal gas mixture behaves independently as if it occupied the entire volume at the mixture temperature.
- The total pressure, volume, temperature, internal energy and enthalpy of the mixture is the sum of the individual components.
- The entropy of the mixture is also the sum of the individual components and obeys the second law of thermodynamics.
- Several examples demonstrate using properties of ideal gas mixtures to calculate temperature, work, heat, and entropy changes during compression, expansion, and mixing processes.
This document discusses chemical reactors and reaction engineering. It begins by classifying reactions as reversible or irreversible, and homogeneous or heterogeneous based on the phases involved. It then covers approaches to performing material balances on reactive processes using conversion, extent of reaction, or yield. Reaction kinetics models like power law and Langmuir-Hinshelwood-Hougen-Watson are also introduced. The document concludes by describing different reactor blocks in Aspen Plus that can be used to model and simulate reactive processes based on stoichiometry, equilibrium, kinetics, and Gibbs energy minimization.
Phase equilibrium feasibility studies of free fatty acids extraction from pal...Alexander Decker
This document summarizes a study that investigated the extraction of free fatty acids from palm oil using supercritical carbon dioxide. The study assessed the feasibility of using a thermodynamic model based on UNIFAC to predict phase equilibrium and activity coefficients for the carbon dioxide/fatty acid system. Experimental results were obtained for extract mole fraction at different pressures from 60-180 bars and temperatures of 313.15K and 353.15K. Mass transfer parameters like diffusion coefficient and solubility were also determined. The model predictions matched reasonably well with experimental data.
Tombokan et.al. 2008 Sclareol Ethyl Lactate CO2 gas anti solvent processrmaguda
This document discusses the extraction of sclareol from clary sage leaves using a gas anti-solvent (GAS) process with ethyl lactate and carbon dioxide. It presents experimental results on the three-component phase behavior of the sclareol-ethyl lactate-carbon dioxide system at various pressures, which indicate a slight enhancement of sclareol solubility with low concentrations of carbon dioxide due to increased solvent density. Thermodynamic models are evaluated for their ability to predict this complex phase behavior to enable process design.
Guia de TGA (análisis termogravimétrico)Alan Viveros
This document provides an introduction to thermogravimetric analysis (TGA) through answering common questions about TGA instruments and their applications. It defines TGA as a technique that measures how a material's weight changes as it is heated or cooled in a controlled atmosphere. The document compares two common TGA instruments from PerkinElmer and provides guidance on best practices for sample preparation, temperature programming, and ensuring reproducibility. It also describes how TGA can be used to characterize materials and common applications such as determining composition and ensuring product safety and quality.
Gas chromatography is a technique used to separate and identify volatile organic compounds in a mixture using an inert gas as the mobile phase and a liquid film supported on an inert solid as the stationary phase. As the gas moves the analyte across the stationary phase, the analyte will be in equilibrium between the gas and liquid phases, allowing separation based on differences in solubility and boiling point. The chromatogram produced shows the order and retention time of elution of components from the column, as well as their relative amounts in the mixture.
This document presents a study examining the catalytic activity of stepped ruthenium and rhenium surfaces for steam reforming of methane. It develops a microkinetic model to predict the turnover frequency (TOF) as a function of key catalyst descriptors. Scaling laws are established using atomic oxygen and carbon binding energies as descriptors to predict intermediate species energies. A free energy diagram shows reactions 4 and 8 have high activation barriers, so the model assumes one is rate limiting. TOF volcano plots are created and show good agreement with rates calculated directly from catalyst data, correctly predicting Ru and Rh have high activity.
Liquid liquid equilibrium for the ternary system of isopropyl acetate 2 propa...Josemar Pereira da Silva
The document presents experimental data on liquid-liquid equilibrium for the ternary system of isopropyl acetate, 2-propanol, and glycerol at temperatures of 298.15 K, 308.15 K, and 318.15 K under atmospheric pressure. Triangular phase diagrams were obtained at each temperature showing the two-phase region. Distribution coefficients and selectivity parameters were calculated to evaluate glycerol's capacity as an extractive solvent. The NRTL and UNIQUAC models were applied to correlate the experimental data with low deviations.
Production of-n-propyl-acetate-by-reactive-distillation-experimental-and-theo...Josemar Pereira da Silva
This document summarizes the first steps in developing a catalytic reactive distillation process for producing n-propyl acetate. Kinetic experiments were conducted to determine the reaction rates for homogeneous and heterogeneous catalysis. Pilot plant experiments were also performed using a homogeneous strong acid catalyst in a packed column with a top-column decanter. Simulation results matched experimental data well when accounting for non-ideal thermodynamics. Several process configurations were identified that could dramatically increase alcohol conversion and n-propyl acetate purity by adding a stripping section. The best startup strategy was determined to involve an initial charging of the two-phase top product to achieve steady-state conditions most quickly.
Influence of temperature on the liquid liquid equilibria of methanol benzene ...Josemar Pereira da Silva
This document summarizes a study on the liquid-liquid equilibrium of the ternary system composed of methanol, benzene, and hexane at different temperatures. Experimental data on the compositions of the coexisting liquid phases are reported at 278.15 K, 283.15 K, and 293.15 K. The data show that increasing the temperature decreases the miscibility gap between the methanol-rich and hexane-rich phases. Models like UNIQUAC and NRTL are able to correlate the experimental equilibrium data reasonably well at the different temperatures, while UNIFAC predicts a larger immiscibility region than observed.
International Journal of Pharmaceutical Science Invention (IJPSI) is an international journal intended for professionals and researchers in all fields of Pahrmaceutical Science. IJPSI publishes research articles and reviews within the whole field Pharmacy and Pharmaceutical Science, new teaching methods, assessment, validation and the impact of new technologies and it will continue to provide information on the latest trends and developments in this ever-expanding subject. The publications of papers are selected through double peer reviewed to ensure originality, relevance, and readability. The articles published in our journal can be accessed online.
Thermal analysis methods like thermogravimetry (TG) and differential scanning calorimetry (DSC) can be used to quantitatively determine the composition of water-in-oil emulsions. TG allows determining the water content through isothermal measurements, while successive heating and cooling in DSC enables determining the amount of ammonium nitrate. If sodium nitrate is also present, it and ammonium nitrate must first be separated from organic matter using diethyl ether before TG. The ratio of ammonium nitrate to sodium nitrate can then be determined from their binary phase diagram.
Partial gibbs free energy and gibbs duhem equationSunny Chauhan
Partial gibbs free energy and gibbs duhem equation,relation between binary solution,relation between partiaL properties,PARTIAL PROPERTIES,PARTIAL PROPERTIES IN BINARY SOLUTION,RELATIONS AMONG PARTIAL PROPERTIES,Maxwell relation,Examples
This document presents a new two-parameter model for predicting the thermal conductivity of liquids. The model is derived based on theories of molecular dynamics, liquid free volume, and the authors' previous model for estimating heat of vaporization. Thermal conductivity data for 68 liquids over a wide range of temperatures are fitted using the model and compared to other existing models, showing good agreement. Key parameters A and B are determined for different liquids to allow calculation of thermal conductivity at any temperature within the studied ranges.
This document presents a new two-parameter model for predicting the thermal conductivity of liquids. The model is derived based on theories of molecular dynamics, liquid free volume, and the authors' previous model for estimating heat of vaporization. Thermal conductivity data for 68 liquids over a wide range of temperatures are fitted using the model and compared to other existing models, showing good agreement. Key parameters A and B are determined for different liquids to allow calculation of thermal conductivity based on fundamental physical property data.
1) FTIR was used to obtain spectra of organic solvents and oils to identify an unknown oil sample. PCA analysis was performed to reduce redundant data and produce PCA scores.
2) PCA plots of scores 1 vs 2 produced clear clusters for solvents and oils, allowing identification of the unknown oil as safflower oil. Key distinguishing wavenumber regions were below 1700 cm-1.
3) Higher wavenumber regions produced overlapping clusters, as solvents and oils shared common carbon-carbon bond features not distinguishable by FTIR.
This document discusses a method for calculating the excess viscosity of liquid mixtures without knowing the theoretical viscosity values. Experimental viscosities were measured for water, ethanol-water mixtures, and methanol-water mixtures at 308K using a capillary viscometer. The excess viscosities were then calculated using a modified logarithmic viscosity equation. The excess viscosities for both ethanol-water and methanol-water mixtures were negative over the entire concentration range, with minima around 35-40% water concentration. This indicates a deviation from ideal behavior. The method allows excess viscosity to be determined from experimental data alone without requiring theoretical viscosity values.
Qualitative and Quantitative Analysis, Empirical and Molecular FormulaFawad Mueen Arbi
This document discusses qualitative and quantitative analysis, empirical and molecular formulas, and combustion analysis. It provides details on:
- The differences between qualitative analysis, which identifies substances, and quantitative analysis, which determines amounts.
- How empirical formulas represent the simplest whole number ratio of elements in a compound and molecular formulas use actual atom counts.
- The process of combustion analysis, where a compound is burned and the products analyzed to determine the empirical formula based on the amounts of carbon dioxide and water produced.
308 two dimensional infrared correlation nodaIsao Noda
1) The document examines the self-assembly of oleic acid (OA) molecules during the evaporation of a binary mixture solution of OA and carbon tetrachloride using two-dimensional infrared (2D IR) correlation spectroscopy and eigenvector manipulating transformation (EMT) technique.
2) Conventional 2D correlation analysis of the infrared spectra showed changes dominated by the dimer components of OA, obscuring minor contributions. EMT was used to partially attenuate the dominant first principal component, selectively enhancing minor monomer features.
3) The EMT-enhanced 2D correlation spectra better resolved overlapping peaks into distinct monomer, dimer, and cluster populations, revealing each had a different absorption band and intensity variation during self
This document provides an overview of Chapter 6 from a general chemistry textbook. The chapter covers the key topics of gases, including gas laws, kinetic molecular theory, gas properties and behavior, gas mixtures, and real gases. It includes definitions of terms like pressure, the gas laws of Boyle, Charles, Avogadro, Dalton's law of partial pressures, effusion and diffusion. Equations like the ideal gas law, van der Waals equation and Graham's law are presented. Examples are provided to demonstrate applications of concepts to stoichiometry and determining molar mass.
International Journal of Engineering Research and Applications (IJERA) is an open access online peer reviewed international journal that publishes research and review articles in the fields of Computer Science, Neural Networks, Electrical Engineering, Software Engineering, Information Technology, Mechanical Engineering, Chemical Engineering, Plastic Engineering, Food Technology, Textile Engineering, Nano Technology & science, Power Electronics, Electronics & Communication Engineering, Computational mathematics, Image processing, Civil Engineering, Structural Engineering, Environmental Engineering, VLSI Testing & Low Power VLSI Design etc.
Abraham model correlations for ionic liquid solvents computational methodolog...Bihan Jiang
The document describes a computational methodology for updating existing Abraham model ion-specific equation coefficients using new experimental solubility and partition coefficient data for ionic liquid solvents. Specifically, it illustrates updating the coefficients for the trifluoroacetate anion based on 51 data points from three ionic liquid solvents containing that anion. The updated coefficients have significantly smaller standard errors and are able to better predict solubility and partition behavior in the three ionic liquids based on the increased data. The methodology allows coefficients to be refined as new data becomes available without needing to re-regress the entire Abraham model data set.
The document discusses ideal gas mixtures and their thermodynamic properties. Some key points include:
- According to Dalton's law, each component of an ideal gas mixture behaves independently as if it occupied the entire volume at the mixture temperature.
- The total pressure, volume, temperature, internal energy and enthalpy of the mixture is the sum of the individual components.
- The entropy of the mixture is also the sum of the individual components and obeys the second law of thermodynamics.
- Several examples demonstrate using properties of ideal gas mixtures to calculate temperature, work, heat, and entropy changes during compression, expansion, and mixing processes.
This document discusses chemical reactors and reaction engineering. It begins by classifying reactions as reversible or irreversible, and homogeneous or heterogeneous based on the phases involved. It then covers approaches to performing material balances on reactive processes using conversion, extent of reaction, or yield. Reaction kinetics models like power law and Langmuir-Hinshelwood-Hougen-Watson are also introduced. The document concludes by describing different reactor blocks in Aspen Plus that can be used to model and simulate reactive processes based on stoichiometry, equilibrium, kinetics, and Gibbs energy minimization.
Phase equilibrium feasibility studies of free fatty acids extraction from pal...Alexander Decker
This document summarizes a study that investigated the extraction of free fatty acids from palm oil using supercritical carbon dioxide. The study assessed the feasibility of using a thermodynamic model based on UNIFAC to predict phase equilibrium and activity coefficients for the carbon dioxide/fatty acid system. Experimental results were obtained for extract mole fraction at different pressures from 60-180 bars and temperatures of 313.15K and 353.15K. Mass transfer parameters like diffusion coefficient and solubility were also determined. The model predictions matched reasonably well with experimental data.
Tombokan et.al. 2008 Sclareol Ethyl Lactate CO2 gas anti solvent processrmaguda
This document discusses the extraction of sclareol from clary sage leaves using a gas anti-solvent (GAS) process with ethyl lactate and carbon dioxide. It presents experimental results on the three-component phase behavior of the sclareol-ethyl lactate-carbon dioxide system at various pressures, which indicate a slight enhancement of sclareol solubility with low concentrations of carbon dioxide due to increased solvent density. Thermodynamic models are evaluated for their ability to predict this complex phase behavior to enable process design.
Guia de TGA (análisis termogravimétrico)Alan Viveros
This document provides an introduction to thermogravimetric analysis (TGA) through answering common questions about TGA instruments and their applications. It defines TGA as a technique that measures how a material's weight changes as it is heated or cooled in a controlled atmosphere. The document compares two common TGA instruments from PerkinElmer and provides guidance on best practices for sample preparation, temperature programming, and ensuring reproducibility. It also describes how TGA can be used to characterize materials and common applications such as determining composition and ensuring product safety and quality.
Gas chromatography is a technique used to separate and identify volatile organic compounds in a mixture using an inert gas as the mobile phase and a liquid film supported on an inert solid as the stationary phase. As the gas moves the analyte across the stationary phase, the analyte will be in equilibrium between the gas and liquid phases, allowing separation based on differences in solubility and boiling point. The chromatogram produced shows the order and retention time of elution of components from the column, as well as their relative amounts in the mixture.
This document presents a study examining the catalytic activity of stepped ruthenium and rhenium surfaces for steam reforming of methane. It develops a microkinetic model to predict the turnover frequency (TOF) as a function of key catalyst descriptors. Scaling laws are established using atomic oxygen and carbon binding energies as descriptors to predict intermediate species energies. A free energy diagram shows reactions 4 and 8 have high activation barriers, so the model assumes one is rate limiting. TOF volcano plots are created and show good agreement with rates calculated directly from catalyst data, correctly predicting Ru and Rh have high activity.
Liquid liquid equilibrium for the ternary system of isopropyl acetate 2 propa...Josemar Pereira da Silva
The document presents experimental data on liquid-liquid equilibrium for the ternary system of isopropyl acetate, 2-propanol, and glycerol at temperatures of 298.15 K, 308.15 K, and 318.15 K under atmospheric pressure. Triangular phase diagrams were obtained at each temperature showing the two-phase region. Distribution coefficients and selectivity parameters were calculated to evaluate glycerol's capacity as an extractive solvent. The NRTL and UNIQUAC models were applied to correlate the experimental data with low deviations.
Production of-n-propyl-acetate-by-reactive-distillation-experimental-and-theo...Josemar Pereira da Silva
This document summarizes the first steps in developing a catalytic reactive distillation process for producing n-propyl acetate. Kinetic experiments were conducted to determine the reaction rates for homogeneous and heterogeneous catalysis. Pilot plant experiments were also performed using a homogeneous strong acid catalyst in a packed column with a top-column decanter. Simulation results matched experimental data well when accounting for non-ideal thermodynamics. Several process configurations were identified that could dramatically increase alcohol conversion and n-propyl acetate purity by adding a stripping section. The best startup strategy was determined to involve an initial charging of the two-phase top product to achieve steady-state conditions most quickly.
Influence of temperature on the liquid liquid equilibria of methanol benzene ...Josemar Pereira da Silva
This document summarizes a study on the liquid-liquid equilibrium of the ternary system composed of methanol, benzene, and hexane at different temperatures. Experimental data on the compositions of the coexisting liquid phases are reported at 278.15 K, 283.15 K, and 293.15 K. The data show that increasing the temperature decreases the miscibility gap between the methanol-rich and hexane-rich phases. Models like UNIQUAC and NRTL are able to correlate the experimental equilibrium data reasonably well at the different temperatures, while UNIFAC predicts a larger immiscibility region than observed.
International Journal of Pharmaceutical Science Invention (IJPSI) is an international journal intended for professionals and researchers in all fields of Pahrmaceutical Science. IJPSI publishes research articles and reviews within the whole field Pharmacy and Pharmaceutical Science, new teaching methods, assessment, validation and the impact of new technologies and it will continue to provide information on the latest trends and developments in this ever-expanding subject. The publications of papers are selected through double peer reviewed to ensure originality, relevance, and readability. The articles published in our journal can be accessed online.
This document reports on a conductometric study of several 1-1 electrolytes (potassium thiocyanate, ammonium thiocyanate, sodium nitrate, ammonium nitrate) in the solvent 2-ethoxyethanol. Precise conductivity measurements were made at various temperatures. The data were analyzed using the 1978 Fuoss conductance equation to determine limiting molar conductivity, association constant, and cosphere diameter. Strong ion association was found for all electrolytes. The cations were substantially solvated by 2-ethoxyethanol while the anions had only weak interaction with the solvent molecules.
Investigation on thermodynamics in separation for ethylene glycol neopentyl g...Josemar Pereira da Silva
The document investigates azeotropic distillation for separating an ethylene glycol (EG) and neopentyl glycol (NPG) system. Vapor-liquid equilibrium data was measured for the EG-NPG and NPG-para-xylene systems under atmospheric pressure. The data was found to be thermodynamically consistent and well-correlated by models like NRTL and UNIQUAC. An azeotropic distillation process was designed using para-xylene as an entrainer that can produce EG and NPG at 99.9% purity with minimal cost.
1991 Et4N-Re2 Cl8 the Greatest disordering in Cluster compounds ever seenKonstantin German
1) The compound tetraethylammonium octachlorodirhenate(II) ([(C2H5)4N]2[Re2Cl8]) was synthesized by reducing tetraethylammonium perrhenate with hydrogen gas under pressure in hydrochloric acid at 130°C.
2) An X-ray crystallographic analysis revealed strong crystallographic disorder of the cations and anions, which correlate with one another. The tetraethylammonium cations and [Re2Cl8]2- anions are disordered across multiple crystallographic sites.
3) Interatomic distances in the structure are similar to closely related compounds. Short
Совместная статья с проф. Коттоном про статистическое разупорядочение фрагментов в кластерных соединениях (первое соединение с разупорядочением и по катиону и по аниону)
A simple simulation model for oxidative coupling of methaneAlexander Decker
This document describes a study that developed a mathematical model to simulate the oxidative coupling of methane over a La0.6Sr0.4NiO3 perovskite catalyst. The catalyst was prepared using a reverse microemulsion method and characterized using various techniques. Rate equations were developed based on previous studies of similar catalysts. The model can predict that at temperatures of 925°C or higher, with a methane partial pressure of 0.3 and oxygen partial pressure of 0.1, the catalyst will reach around 10% methane conversion and 50% selectivity to C2+ hydrocarbons.
A simple simulation model for oxidative coupling of methaneAlexander Decker
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2. 2. Experimental
2.1. Materials
The analytical grade chemicals n-hexane, ethyl acetate and
acetonitrile were purchased from Tianjin Kemiou Chemical Reagent
Co. Ltd. For all reagents, the purities checked by gas chromatograph
were listed Table 1. All reagents were used directly in the experi-
ment without further purification. The densities and refractive in-
dex for all reagents were also measured by a digital vibrating-tube
densimeter (DMA 4500, Anton Paar, Austria) at 298.15 K with an
uncertainty of ±0.00005 g cmÀ3
and a full automatic refract-meter
(Hanon A610, Hanon Instrument, China) with an uncertainty of
±0.0001, respectively. The densities and refractive index were also
listed in Table 1 and compared with the literature values [11e13],
with the good agreement in general.
2.2. Apparatus and procedures
The measurement methods and procedures of LLE experiments
data were similar to those described in the literature [14e16].
Firstly, a 100 mL glass container was filled up by the mixtures of
known overall composition as much as possible to avoid perhaps
appearance of additional vapor phase. Then the glass container was
stirred intensely by ultrasonic at least 1 h to make the sample mix
completely and was sealed with a glass tap. The glass container was
then placed in a cryogenic thermostatic (THD-2006, Ningbo Tian-
heng Instrument Factory, China) at constant temperatures under
atmospheric pressure. The maximum temperature fluctuations
were within 0.05 K. After almost 20 h, syringes were used to take
the samples from both phases. To cover the entire two-phase region
as far as possible, the volume for one component was usually fixed
and those for the other two were altered with one increased and
the other decreased. The change step of volume for each compo-
nent was 7e8 mL each time.
With a gas chromatograph (GC-2010 Plus from Shimadzu Co.
Ltd., Japan) with a flame ionization detector (FID), all samples for
the equilibrium phases were analyzed. The GC column is a Rtx-5
low polarity capillary column (30 m  0.25 mm  0.25 mm,
Restek Corporation, USA). The carrier gas is nitrogen with a purity
of 99.999%, with a flowrate of 30 cm3
minÀ1
and a pressure of
0.3 MPa. For each sample, the response of gas chromatography
analysis was calibrated with several standard mixtures of known
composition prepared gravimetrically over the entire composition
range. The final composition was determined from the average of
three replications. The uncertainty of the equilibrium mixture
composition is estimated to within ±0.001 in mole fraction.
2.3. Uncertainty measurement
For each variable determined experimentally, including density
(r), refractive index (nD), temperature (T), composition (x) and
pressure (p), their uncertainties were determined according to the
JCGM guidance document [17] and were shown in the respective
table footnote.
3. Results and discussion
3.1. LLE experimental data
The ternary LLE tie-line data at (298.15, 308.15, 318.15) K were
listed in Table 2 shown as mole fraction, and triangle phase dia-
grams were plotted and shown in Fig. 1 separately. According to
Treybal [18], these are Type I ternary diagrams. In other words, n-
hexane-acetonitrile system is partial miscible, while n-hexane-
ethyl acetate and ethyl acetate-acetonitrile systems both are
completely miscible with each other in the temperature range
investigated. The immiscible area in the triangle diagrams decrease
with the temperature rising from 298.15 K to 318.15 K. The positive
slope of tie-line in triangle phase graph manifests the positive
Table 1
Experimental and literature values of density r and refractive index nD, van der Waals molecular structural parameters of pure component for UNIQUAC, and mass fraction
purity w.
Chemical name ra,b
/(gcmÀ3
) nD
a,b
rc
qc
wd
Experimental Literature Experimental Literature Volume Surface area Mass fraction purity
n-hexane 0.65512 0.65507 [11] 1.3725 1.3720 [11] 4.4998 3.8560 0.9974
Ethyl acetate 0.89461 0.89460 [12] 1.3701 1.3699 [12] 3.4786 3.1160 0.9982
Acetonitrile 0.77655 0.77664 [13] 1.3413 1.3411 [13] 1.8701 1.7240 0.9978
a
The experimental values of density and refractive index are reported at 298.15 K and atmospheric pressure.
b
Standard uncertainties: u(r) ¼ ±0.00007 g cmÀ3
; u(nD) ¼ ±0.0001 and u(p) ¼ ±0.3 kPa, all with 0.95 level of confidence.
c
Taken from Aspen property databank.
d
Determined by Gas Chromatography.
Table 2
The experimental tie-line data (mole fraction) for n-hexane (1) þ ethyl acetate
(2) þ acetonitrile (3) at T ¼ (298.15, 308.15 and 318.15) K under atmospheric
pressure.a
Feed n-hexane rich
phase (I)
Acetonitrile rich
phase (II)
K1 K2 S
x1 x2 x1 x2 x1 x2
298.15 K
0.4708 0.0491 0.8601 0.0298 0.0798 0.0703 0.0928 2.359 25.43
0.4143 0.0992 0.8202 0.0696 0.1103 0.1295 0.1345 1.861 13.84
0.3797 0.1525 0.7611 0.1191 0.1305 0.1894 0.1715 1.590 9.27
0.3718 0.1842 0.7213 0.1488 0.1507 0.2189 0.2089 1.471 7.04
0.3407 0.2253 0.6614 0.1888 0.1908 0.2594 0.2885 1.374 4.76
0.3250 0.2617 0.6004 0.2291 0.2310 0.2887 0.3847 1.260 3.28
0.3055 0.2905 0.5313 0.2584 0.2724 0.3187 0.5127 1.233 2.41
0.2941 0.3103 0.4722 0.2877 0.3316 0.3189 0.7022 1.108 1.58
308.15 K
0.4958 0.0355 0.8601 0.0295 0.0904 0.0395 0.1051 1.339 12.74
0.4606 0.0690 0.8410 0.0488 0.0996 0.0901 0.1184 1.846 15.59
0.4205 0.1128 0.7900 0.0898 0.1198 0.1396 0.1516 1.555 10.25
0.3923 0.1584 0.7305 0.1293 0.1498 0.1899 0.2051 1.469 7.16
0.3675 0.1948 0.6806 0.1591 0.1818 0.2288 0.2671 1.438 5.38
0.3416 0.2312 0.6215 0.1999 0.2224 0.2589 0.3578 1.295 3.62
0.3169 0.2647 0.5404 0.2389 0.2703 0.2895 0.5002 1.212 2.42
0.3006 0.2813 0.4914 0.2685 0.3207 0.2989 0.6526 1.113 1.71
318.15 K
0.5065 0.0403 0.8498 0.0301 0.0999 0.0499 0.1176 1.658 14.10
0.4676 0.0811 0.8108 0.0594 0.1212 0.0989 0.1495 1.665 11.14
0.4448 0.1267 0.7607 0.0991 0.1406 0.1493 0.1848 1.507 8.15
0.3993 0.1572 0.7115 0.1288 0.1701 0.1797 0.2391 1.395 5.84
0.3789 0.1904 0.6607 0.1598 0.1907 0.2194 0.2886 1.373 4.76
0.3550 0.2223 0.6012 0.1989 0.2307 0.2492 0.3837 1.253 3.27
0.3392 0.2437 0.5616 0.2195 0.2601 0.2698 0.4631 1.229 2.65
0.3215 0.2632 0.4926 0.2488 0.3210 0.2791 0.6516 1.122 1.72
a
Standard uncertainties u are u(x) ¼ 0.0010, u(T) ¼ 0.05 K.
M. Qiao et al. / Fluid Phase Equilibria 419 (2016) 84e87 85
3. effect of the extraction of ethyl acetate from n-hexane with
acetonitrile as extractive solvent. In addition, the feed composition
for each tie line was also listed in Table 2 and shown in Fig. 1. Each
feed composition points in the triangle phases fall on the respective
tie line, indicating that mass balances are satisfied.
3.2. Data correlation
Here, the NRTL [9] and UNIQUAC [10] models were applied to
correlate the experimental data for the ternary systems by using an
Aspen Simulator. Van der Waals molecular structural parameters of
pure component for UNIQUAC model r and q were list Table 1 for n-
hexane, ethyl acetate and acetonitrile, respectively. The binary
interaction parameters for the two models were bij and bji and
defined as the footnote of Table 3. The regression method used in
the ASPEN simulator was the generalized least squares method
based on maximum likelihood principles and with the Deming
initialization method, the BritteLuecke algorithm [19] was
employed to obtain the model parameters. The regression conver-
gence tolerance was set to 0.0001. The values of the non-random
parameter aij for NRTL model were fixed at 0.2 for acetonitrile-n-
hexane, 0.3 for ethyl acetate-acetonitrile and 0.3 for n-hexane-
ethyl acetate according to the relative polarity of component pairs.
The interaction parameters for NRTL and UNIQUAC models were
determined by fitting all the isothermal ternary system LLE
experimental data at T ¼ (298.15, 308.15 and 318.15) K and were
reported in Table 3.
To evaluate the agreement between the measured data and the
calculated results, root-mean-square deviation (RMSD) was calcu-
lated according to the following equation:
RMSD ¼
0
B
@
PM
k¼1
P2
j¼1
P3
i¼1
xijk À xijk
2
6M
1
C
A
1=2
(1)
where M is the number of tie-line. The values of RMSD were also
listed in Table 3. From the small RMSD values, it was concluded that
LLE experimental data at T ¼ (298.15, 308.15 and 318.15) K for the
ternary system investigated could be correlated well by NRTL and
UNIQUAC models, and the former is slightly better than the latter.
3.3. Study of acetonitrile as extractive solvent
To assess the feasibility of using acetonitrile as a solvent to
extract ethyl acetate from n-hexane, the distribution coefficient (K)
and the separation factor (S) were applied, which were calculated
from the following equations:
K1 ¼
xІІ
1
xІ
1
(2)
K2 ¼
xІІ
2
xІ
2
(3)
S ¼
xІІ
2
xІІ
1
xІ
2
xІ
1
¼
K2
K1
(4)
Table 2 showed the values of K1, K2 and S in terms of each tie
line. From all the values of S which are more than 1.0 at the tem-
perature ranges investigated, it was concluded that acetonitrile can
be used as solvent to extract ethyl acetate from n-hexane. K and S
both decrease as the concentration of ethyl acetate increases,
indicating that the higher the concentration of ethyl acetate, the
Fig. 1. Ternary phase diagram for n-hexane (1) þ ethyl acetate (2) þ acetonitrile (3)
system at 298.15 K, 308.15 K and 318.15 K: (-d-) experimental data; (De e eD)
NRTL model; (,∙∙∙∙∙,) UNIQUAC model; (C) feed composition.
M. Qiao et al. / Fluid Phase Equilibria 419 (2016) 84e8786
4. lower the separation capacity of acetonitrile. It should be noted that
the distribution coefficients K2 within the temperature range
investigated are a litter more than 1.0, suggesting considerable
quantities of solvent would be required in practice.
4. Conclusions
Tie-line data for the ternary system composed of n-hexane,
ethyl acetate and acetonitrile were measured at T ¼ (298.15, 308.15
and 318.15) K under atmospheric pressure. A type I phase diagram
was found for the ternary system. With temperature increasing, the
immiscible zone in the triangle phase diagram becomes smaller.
NRTL and UNIQUAC models were applied to correlate the LLE data
and the models parameters were obtained. Two models both gave
satisfactory results and NRTL model was slightly better than UNI-
QUAC model. The works contribute to the process design of the
extraction of ethyl acetate from n-hexane with acetonitrile as
solvent.
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Table 3
NRTL and UNIQUAC binary interaction parameters (bij and bji) for the ternary system n-hexane (1) þ ethyl acetate (2) þ acetonitrile (3) valid for the temperature range
investigated.a
Components
iej
UNIQUAC parameters NRTL parameters
bij (J$molÀ1
) bji (J$molÀ1
) RMSD bij (J$molÀ1
) bji (J$molÀ1
) a RMSD
1e2 À1162.43 259.35 0.0017 3662.17 953.12 0.3 0.0014
1e3 À4347.86 À281.79 3788.39 4868.82 0.2
2e3 À5685.06 3216.78 564.65 2085.96 0.3
a
The NRTL and UNIQUAC model parameters (bij, bji) are defined as bij ¼ gij À gii and bij ¼ uij À uii, respectively.
M. Qiao et al. / Fluid Phase Equilibria 419 (2016) 84e87 87