Simulation of Sulfolane Extraction Distillation Process

2014 ◽  
Vol 881-883 ◽  
pp. 324-328
Author(s):  
De Xin Liu
Keyword(s):  
Process Model ◽  
Technical Support ◽  
Binary Interaction ◽  
Distillation Process ◽  
Solution Theory ◽  
Liquid Equilibrium ◽  
Production Processes ◽  
Equilibrium Data ◽  
Binary Interaction Parameters ◽  
Standard Solution

The sulfolane extraction distillation (SED) process is widely applied to separate aromatics and non-aromatics, but it is difficult to build a model for SED because of unknown binary interaction parameters (BIPs). In this study, liquid-liquid equilibrium data are used to regress unknown BIPs, and other unknown BIPs are calculated based on standard solution theory, and then a process model for RIPPs SED is developed. The gap between model results and RIPPs patent is marginal. It is shown that properties method used and process model built in this paper could calculate the SED process correctly and provide theoretical and technical support to the actual production processes.

scholarly journals Isobaric Vapor Liquid Equilibrium Determination for 1,3,5-Trimethylbenzene + Ethanol and 1,3,5-Trimethylbenzene + n-Butanol Binary Systems

2019 ◽  
Vol 64 (4) ◽  
pp. 446-456
Author(s):  
Marilena Nicolae ◽  
Costin Sorin Bîldea
Keyword(s):  
Binary Systems ◽  
Binary Interaction ◽  
Liquid Equilibrium ◽  
Vapor Liquid Equilibrium ◽  
Distillation Columns ◽  
Liquid Liquid Extraction ◽  
Double Phase ◽  
Equilibrium Data ◽  
Binary Interaction Parameters ◽  
Vapor Liquid

The vapor-liquid equilibrium data are necessary for the design of the distillation columns which separate the mixture mesitylene – ABE components resulting from the liquid-liquid extraction of butanol from the ABE using 1,3,5-trimethylbenzene as solvent. In this work, the vapor - liquid equilibrium data is determined for the binary systems: ethanol + 1,3,5-trimethylbenzene and n-butanol + 1,3,5-trimethylbenzene at constant pressure of 93.325 KPa using a double phase circulation apparatus. Thus, P-T-x-y data is determined, which is further processed by regression to determine the binary interaction parameters of the NRTL and UNIQUAC models. Furthermore, the T-x-y diagrams are calculated using the completed thermodynamic models (NRTL and UNIQUAC) and the UNIFAC predictive model, and compared with the experimental diagrams.

scholarly journals PARAMETER INTERAKSI BINER KESETIMBANGAN UAP-CAIR CAMPURAN ALKOHOL UNTUK OPTIMASI PROSES PEMURNIAN BIOETANOL

2017 ◽  
Vol 5 (2) ◽  
pp. 37-44 ◽  
Author(s):  
Asalil Mustain ◽  
Anang Takwanto ◽  
Dhoni Hartanto
Keyword(s):  
Interaction Parameters ◽  
Binary Interaction ◽  
Primary Alcohols ◽  
Liquid Equilibrium ◽  
Vapor Liquid Equilibrium ◽  
Temperature Function ◽  
Wide Range ◽  
Equilibrium Data ◽  
Binary Interaction Parameters ◽  
Vapor Liquid

In this work, the binary interaction parameters of vapor-liquid equilibrium for the mixtures of primary alcohols (methanol, ethanol, 1-propanol or 1-butanol) with C5 alcohols were obtained. A total of 15 systems that consisted of isobaric vapor-liquid equilibrium data at atmospheric pressure were selected. The binary interaction parameters were determined as temperature function by correlating the selected vapor-liquid equilibrium data using the Wilson, Non-Random Two-Liquid (NRTL) and Universal Quasi-Chemical (UNIQUAC) activity coefficient models. The binary interaction parameters were described as the temperature-dependent to increase the capability of the parameters for the application in wide range of temperature. The correlation showed good results because the root mean square deviation (RMSD) between the calculation values and experimental data were relatively low. The obtained parameters were very useful for optimizing the distillation column in the bio-ethanol purification process.

scholarly journals Measurement and Correlation of Liquid-Liquid Equilibrium Data of Mesityl oxide-Diethoxymethane-Water System

2021 ◽  
Vol 257 ◽  
pp. 03004
Author(s):  
Hongyue Guo ◽  
Mai Han ◽  
Yicong Zhao ◽  
Qingsong Li
Keyword(s):  
Experimental Data ◽  
Water System ◽  
Normal Pressure ◽  
Mesityl Oxide ◽  
Binary Interaction ◽  
Liquid Equilibrium ◽  
Good Reliability ◽  
Equilibrium Data ◽  
Binary Interaction Parameters ◽  
Relative Root

To provide essential data for the separation of diethoxymethane and system water using mesityl oxide as the extractant, in this paper, the liquid-liquid equilibrium data of the ternary system of ‘mesityl oxide + diethoxymethane + water’ was measured at 303.2 K, 313.2 K and 323 K under normal pressure. The experimental results showed that partition coefficient and separation factor were both larger than 1, indicating that diethoxymethane and water could be well separated with mesityl oxide. The linear correlation coefficient of Bachman and Hand equation was larger than 0.99, indicating that our experimental data has good reliability. At the same time, the binary interaction parameters of the model were obtained by correlating the experimental data with the NRTL and UNIQUAC models. The relative root mean square error (RMSD) of the experimental value and the calculation formula was less than 0.79%, indicating that both the NRTL and UNIQUAC models can be well associated with experimental data.

scholarly journals Parameter Interaksi Biner Kesetimbangan Uap-Cair Campuran yang Melibatkan Alkohol Rantai Bercabang atau Aseton untuk Optimasi Proses Pemurnian Bioetanol

2019 ◽  
Vol 3 (2) ◽  
pp. 53 ◽  
Author(s):  
Asalil Mustain ◽  
Khalimatus Sa'diyah ◽  
Agung Ari Wibowo ◽  
Dhoni Hartanto
Keyword(s):  
Root Mean Square ◽  
Root Mean Square Deviation ◽  
Interaction Parameters ◽  
Binary Interaction ◽  
Mean Square ◽  
Mean Square Deviation ◽  
Liquid Equilibrium ◽  
Vapor Liquid Equilibrium ◽  
Binary Interaction Parameters ◽  
Vapor Liquid

Parameter interaksi biner kesetimbangan uap-cair campuran yang melibatkan alkohol rantai bercabang atau aseton telah ditentukan pada penelitian ini. Data kesetimbangan uap-cair kondisi isobarik pada tekanan atmosferik telah dipilih total sebanyak 14 sistem. Data kesetimbangan tersebut kemudian dikorelasikan dengan model koefisien aktifitas Wilson, Non-Random Two-Liquid (NRTL) dan Universal Quasi-Chemical (UNIQUAC) untuk diperoleh parameter interaksi binernya. Parameter tersebut ditentukan sebagai fungsi suhu pada penelitian ini untuk meningkatkan kemampuannya dalam aplikasi pada kisaran suhu yang panjang. Korelasi menunjukkan hasil yang baik dikarenakan root mean square deviation (RMSD) antara data eksperimental dengan hasil perhitungan relatif kecil. Sebagai tambahan, perilaku masing-masing sistem biner tersebut juga diamati pada kesempatan ini. Parameter yang diperoleh dapat digunakan untuk optimasi desain kolom distilasi pada proses pemurnian produksi bioetanol.The binary interaction parameters of vapor-liquid equilibrium for the mixtures involving branched-chain higher alcohols or acetone have been determined in this study. Isobaric vapor-liquid equilibrium data at atmospheric pressure have been selected for a total of 14 systems. The VLE data were then correlated with the Wilson, Non-Random Two-Liquid (NRTL) and Universal Quasi-Chemical (UNIQUAC) activity coefficient models to obtain its binary interaction parameters. The parameters were determined as the temperature-dependent in this study to increase its ability in wide temperature range applications. The correlations showed good results because the root mean square deviation (RMSD) between the experimental data and calculation values were relatively low. In addition, the behavior of each binary systems were also observed in this study. The obtained parameters could be used to optimize the distillation column design in the purification process of bioethanol production.

Liquid-liquid Equilibrium Determination and Data Correlation for 2,2,4-trimethyl Pentane - tripropylene Glycol Binary System

2020 ◽  
Vol 71 (1) ◽  
pp. 155-171
Author(s):  
Marilena Nicolae ◽  
Bogdan Doicin ◽  
Cristian Patrascioiu ◽  
Emil Pricop
Keyword(s):  
Thermodynamic Model ◽  
Measured Data ◽  
Simulation Software ◽  
Interaction Parameters ◽  
Binary Interaction ◽  
Liquid Equilibrium ◽  
Unifac Model ◽  
Calculation Results ◽  
Binary Interaction Parameters ◽  
Chemical Simulation

Liquid-liquid equilibrium at temperatures between 293.16K and 353.1K for the mixture of 2,2,4-trimethylpentane + 2- [2- (2-Hydroxypropoxy) propoxy] -1-propanol was determined using the cloud point method. The measured data was used to estimate the binary interaction parameters of NRTL thermodynamic model, through non-linear regression using MATLAB� software. The binary interaction parameters resulting from regression were used further in a chemical simulation software (PRO/II 9.3) to determine the LLE for the studied mixture. The LLE calculation results obtained with the NRTL model were compared with the results of LLE calculations using the predictive thermodynamic model-UNIFAC. It was determined that the results of the calculation of the LLE using binary interaction parameters obtained through regression have a smaller deviation from the experimental data than the results of the calculation performed using the UNIFAC model. Moreover, the binary interaction parameters obtained from regression were utilized for the estimation of the solvency properties of tripropylene glycol considering the extraction of C8 aromatics from a mixture containing 2,2,4-trimethyl pentane, ethylbenzene and xylenes.

scholarly journals A Gibbs free energy minimization based model for liquid–liquid equilibrium calculation of a system containing oil, brine, and surfactant

2020 ◽  
Vol 75 ◽  
pp. 17
Author(s):  
Mostafa Hosseini ◽  
Amir H. Mohammadi
Keyword(s):  
Experimental Data ◽  
Free Energy ◽  
Gibbs Free Energy ◽  
Thermodynamic Modeling ◽  
Sodium Dodecyl ◽  
Binary Interaction ◽  
Ionic Surfactant ◽  
Liquid Equilibrium ◽  
Uniquac Model ◽  
Binary Interaction Parameters

Accurate and reliable phase equilibrium calculations of microemulsion systems are of great importance. This study deals with the thermodynamic modeling of Liquid–Liquid Equilibrium (LLE) of a system including oil (n-decane), brine (containing CaCl2 salt), and ionic surfactant (sodium dodecyl sulfonate). Two models of UNIQUAC and UNIQUAC + Debye–Hückel were used for thermodynamic calculations. The LLE experimental data were utilized to estimate the binary interaction parameters of UNIQUAC model and the adjustable parameter, b, of the Debye–Hückel model. The thermodynamic model calculates the microemulsion phase’s compositions by minimizing the Gibbs free energy of the LLE system using a combination of genetic algorithm and fmincon function in order to prevent local minima. The thermodynamic modeling results show an appropriate agreement with the experimental data. Accordingly, the presented model of this study can be used as a suitable method to investigate the liquid–liquid equilibrium of systems containing oil, water, and surfactant.

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