scholarly journals THE DEVELOPMENT OF A BASIC PROCESS SCHEME FOR THE PREPARATION OF ISOAMYL ACETATE

2018 ◽  
Vol 13 (6) ◽  
pp. 79-88
Author(s):  
S. L. Nazanskiy ◽  
M. S. Glukhova
Keyword(s):  
Phase Equilibrium ◽  
Isoamyl Acetate ◽  
Technological Scheme ◽  
Operating Efficiency ◽  
Esterification Reaction ◽  
Liquid Equilibrium ◽  
Volume Calculation ◽  
Reactor Volume ◽  
Mixture Phase ◽  
Vapor Liquid

The article reports the development of a technological scheme for isoamyl acetate preparation on the basis of kinetic data, vapor-liquid and liquid-liquid equilibrium data. A review of isoamyl acetate production methods was made. At present most of the methods are based on esterification reaction, which takes place in the presence of homogenous and heterogeneous catalysts. Heterogeneous catalysis is preferred because of absence the catalyst separation problem. In the first part of the work vapor-liquid and liquid-liquid equilibrium simulation was made. NRTL and UNIQUAC models were used to calculate phase equilibrium of a quaternary reaction mixture. It was proved by comparison of deviations of the calculated temperature and vapor mole fractions from the experimental values that NRTL is the best model for the considered mixture phase equilibrium calculations. This model was used in further calculations of distillation and liquid-liquid splitting. The choice of the technological scheme is based on the use of the principle of both distillation and liquid phase separation and the recycling of substances in the system. The difficulty in isolating pure isoamyl acetate as a product is due to the presence of four binary azeotropes and two triple ones in the system. When developing and selecting a technological scheme, the possibility of obtaining maximum conversions of the reactants was taken into account. Besides, when designing and calculating the scheme, an assumption was made about infinite separating ability of separation distillation columns. To check operating efficiency of the scheme in real conditions, a verification calculation was made to determine the minimum and working reactor volume. The minimum and working reactor volume calculation was based on the Langmuir-Hinshelwood-Hougen-Watson model for the kinetics of the esterification reaction. The selection of constructive and operating parameters of the scheme, at which high quality of isoamyl acetate is achieved, was made.

scholarly journals Evaluation of the possibility of separating commercial phenol from the phenolic fraction of coal tar

2021 ◽  
Vol 266 ◽  
pp. 02011
Author(s):  
Y.O. Schastnyy ◽  
N.A. Romanova ◽  
R.R. Gizatullin
Keyword(s):  
Coal Tar ◽  
Component Composition ◽  
Technological Scheme ◽  
Technological Parameters ◽  
Liquid Equilibrium ◽  
Phenolic Fraction ◽  
Vapor Liquid Equilibrium ◽  
Nrtl Model ◽  
Azeotropic Mixtures ◽  
Vapor Liquid

This article is about the possibility of concentrating commercial coal phenol with a concentration of 99% by the weight method of rectification from the phenolic fraction of coal tar. The sufficiency of phenol is ensured by the kumol method, however, the consumption of phenol increases. Modeling of the vapor-liquid equilibrium of double and triple mixtures of components using the NRTL model showed the presence of the following positive homogeneous azeotropic mixtures: phenol-indane, phenol-indene. Modeling of the vapor-liquid equilibrium of double and triple mixtures of components using the NRTL model showed the presence of the following positive homogeneous azeotropic mixtures: phenol-indane, phenol-indene. The compositions and temperatures of these azeotropes are determined. The authors propose the isolation of phenol from the fraction and its purification from indane and indene by a clear rectification method. The technological scheme consisting of four devices is based on the analysis of the component composition of the initial mixture and the existing azeotropes. Modeling of the technological scheme showed that this scheme provides the release of phenol by 99% of the mass, which meets the requirements for coal phenol. After optimizing the technological parameters of the distillation columns, the estimated extraction costs will amount to 5.64 Gcal per ton of commercial phenol.

Thermodynamic Model for Vapor-Liquid Phase Equilibrium in an Exerted Magnetic Field

2012 ◽  
Vol 550-553 ◽  
pp. 2704-2711
Author(s):  
Hong Bo Tang ◽  
Min Qing Zhang
Keyword(s):  
Magnetic Field ◽  
Phase Equilibrium ◽  
Liquid Phase ◽  
Magnetic Fields ◽  
Thermodynamic Model ◽  
Water System ◽  
Liquid Equilibrium ◽  
Vapor Liquid Equilibrium ◽  
The Magnetic Field ◽  
Vapor Liquid

Many researchers have shown a great deal of interest in the effects that magnetic fields have when applied in chemical reactions, crystallization, magnetic separation of materials, magnetic levitation, materials processing, and wastewater treatment. However, surprisingly little research has been done on the effects of magnetic fields on the vapor-liquid equilibrium and the thermodynamic model for vapor-liquid phase equilibrium. The influence of magnetic fields on vapor-liquid equilibrium of binary heterogeneous azeotrope was investigated with ethanol-water in this paper. It was found that the vapor-liquid equilibrium of an ethanol-water system is influenced by the external magnetic field, but that the azeotropic point of the ethanol-water system is not changed by the magnetic field when the magnetic intensity reaches 0.8 T. Rather, the exerted magnetic field reduces the equilibrium temperature and shortens the distance between T-x curve and T-y curve in T-x-y diagram of the vapor-liquid equilibrium of the ethanol-water system. A thermodynamic model for vapor-liquid phase equilibrium in the exerted magnetic field was derived theoretically, based on the fundamental thermodynamic theory. The results show that the logarithm value of the ratio of the composition of the certain component in a magnetic field to that without the magnetic field is proportional to the magnetic susceptibility of the solution, and to the square of magnetic field intensity. This template explains and demonstrates how to prepare your camera-ready paper for Trans Tech Publications. The best is to read these instructions and follow the outline of this text.

Compositional Modeling With an Equation of State (includes associated papers 10894 and 10903 )

1981 ◽  
Vol 21 (06) ◽  
pp. 687-698 ◽  
Author(s):  
L.X. Nghiem ◽  
D.K. Fong ◽  
K. Aziz
Keyword(s):  
Phase Equilibrium ◽  
Equation Of State ◽  
Interfacial Tension ◽  
Petroleum Reservoir ◽  
Liquid Equilibrium ◽  
Time Step ◽  
Vapor Liquid Equilibrium ◽  
Diagonally Dominant Matrix ◽  
Large Systems ◽  
Vapor Liquid

Abstract This paper describes an implicit-pressureexplicit-composition and explicit-compositionalmodel. The model uses an equation of state(Peng-Robinson)for phase equilibrium and densitycalculations. Interfacial tension effects areconsidered also. The formulation of the pressureequation yields a symmetric and diagonally dominantmatrix that allows the use of the iterative conjugategradiate method for large systems. Simulation oflaboratory CO2 displacements shows good agreementbetween calculated and experimental results. Theinfluence of interfacial tension is investigated.Physically reasonable results also have beenobtained for hypothetical areal and cross-sectional problems. Introduction The design of high-pressure gas, enriched-gas, orCO2, injection schemes requires an accurate predictionof the vapor-liquid equilibrium between the oil-in-placeand the injected fluid. In recent years, vapor-liquid equilibrium calculations have been enhanced by theintroduction of many two-constant equations of statethat can be applied to both the vapor and liquid phases.The application of these equations of state to petroleum reservoir fluids was made possible by the ability toevaluate the parameters of these equations from propertiesof the heavy fraction-i.e., density, average boilingpoint, and molecular weight-which can be measuredeasily.Two compositional models that utilize an equation ofstate for phase equilibrium properties calculation aredescribed by Fussell and Fussell and Coats. Whenboth gas and oil are present in every grid block, the formulation of Fussell and Fussell requires thesimultaneous solution of nb (v+1) nonlinear equations, where nb, is the number of grid blocks and v is thenumber of components in the hydrocarbon system. Theexplicit treatment of the transmissibilities limits thesize of the allowable time step. On the other land, Coatsproposed a fully implicit equation-of-state compositionalmodel. His formulation requires the simultaneous solution of nb (2v+4) equations. Although the stability ofCoat's model is better than that of Fussell and Fussell'smodel, the computational cost of Coat's implicit modelmay become prohibitive for systems containing a largenumber of grid blocks and components.This paper presents an implicit-pressure explicit-composition and saturation equation of statecompositional model that is a variation of that proposedby Kazemi et al. The formulation of the pressure equationyields a symmetric and diagonally dominant matrix that allows the use of the iterative conjugate gradientmethod for large systems. The diagonal dominance isalso a desirable feature for the numerical stability ofdirect elimination methods.A new model for relative permeabilities that isdependent on interfacial tension is proposed and thesensitivity of the recovery to interfacial tension isdiscussed.A well model that allows the simulation of constantvolume, constant injection/production wells and multiblockwell completions is provided.The Peng-Robinson equation of state is used in allexamples, although the solution method is general andapplicable for any other equation of state. SPEJ P. 687^

scholarly journals Study on Particle Swarm Optimization Variant and Simulated Annealing in Vapor Liquid Equilibrium Calculation

REAKTOR ◽  
2019 ◽  
Vol 19 (2) ◽  
pp. 77-83
Author(s):  
Rama Oktavian ◽  
Agung Ari Wibowo ◽  
Zuraidah Fitriah
Keyword(s):  
Particle Swarm Optimization ◽  
Simulated Annealing ◽  
Phase Equilibrium ◽  
Particle Swarm ◽  
Optimization Methods ◽  
Liquid Equilibrium ◽  
Equilibrium Calculation ◽  
Swarm Optimization ◽  
Vapor Liquid Equilibrium ◽  
Vapor Liquid

Phase equilibrium calculation plays a major rule in optimization of separation process in chemical processing. Phase equilibrium calculation is still very challenging due to highly nonlinear and non-convex of mathematical models. Recently, stochastic optimization method has been widely used to solve those problems. One of the promising stochastic methods is Particle Swarm Optimization (PSO) due to its simplicity and robustness. This study presents the capability of particle swarm optimization for correlating isothermal vapor liquid equilibrium data of water with methanol and ethanol system by optimizing Wilson, Non-Random Two Liquids (NRTL), and Universal Quasi Chemical (UNIQUAC) activity coefficient model and also presents the comparison with bare-bones PSO (BBPSO) and simulated annealing (SA). Those three optimization methods were successfully tested and validated to model vapor liquid equilibrium calculation and were successfully applied to correlate vapor liquid equilibrium data for those types of systems with deviation less than 2%. In addition, BBPSO shows a consistency result and faster convergence among those three optimization methods. Keywords: Phase equilibrium, stochastic method, particle swarm optimization, simulated annealing and activity coefficient model

Evaluation of Heterodimerization Constant from Solid-Liquid and Vapor-Liquid Equilibrium Data

2000 ◽  
Vol 65 (9) ◽  
pp. 1497-1505
Author(s):  
Ivona Malijevská
Keyword(s):  
Phase Equilibrium ◽  
Geometric Mean ◽  
Propanoic Acid ◽  
Liquid Equilibrium ◽  
Dimerization Constant ◽  
Vapor Liquid Equilibrium ◽  
Equilibrium Data ◽  
Solid Liquid ◽  
Vapor Phase Equilibrium ◽  
Vapor Liquid

Activity coefficients obtained from the solid-liquid equilibrium data were used to fit the isobaric vapor-liquid equilibrium data to evaluate the vapor-phase equilibrium constant of heterodimerization of the system propanoic acid-trifluoroethanoic acid. The found hetero-dimerization constant is several times higher than that estimated on the basis of the "double-geometric-mean" rule and its temperature dependence has the form ln KAB = 7 196.7/T - 26.80.

Phase Equilibria for Heterogeneous Azeotropic Distillation

2008 ◽  
Vol 3 (1) ◽  
Author(s):  
Enrique A. Campanella ◽  
Beatriz A. Mandagaran
Keyword(s):  
Phase Equilibrium ◽  
Activity Coefficient ◽  
Phase Equilibria ◽  
Conceptual Design ◽  
Azeotropic Distillation ◽  
Ternary Systems ◽  
Liquid Equilibrium ◽  
Equilibrium Modeling ◽  
Activity Coefficient Models ◽  
Vapor Liquid

This paper discusses the importance of phase equilibrium modeling in heterogeneous azeotropic distillation. Seven ternary systems are used to examine the behavior of phase equilibria and its representation, through activity coefficient models. This work used vapor-liquid equilibrium, liquid-liquid equilibrium, vapor-liquid-liquid equilibrium, azeotropic points and residue curve data to pick up a model and its parameters with the goal that the election correlate the systems in a way that it is useful for conceptual design of heterogeneous azeotropic distillation. The paper presents results done with UNIQUAC. A procedure to obtain binary parameters is proposed. The procedure is validated through an azeotropic distillation conceptual design and its following optimization using a rigorous simulation.

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