Search results for: NRTL.

Authors: Herti Utami, Sutijan, Roto, Wahyudi Budi Sediawan

Abstract:

α-Pinene is the main component of the most turpentine oils. The hydration of α-pinene with acid catalysts leads to a complex mixture of monoterpenes. In order to obtain more valuable products, the α-pinene in the turpentine can be hydrated in dilute mineral acid solutions to produce α-terpineol. The design of separation processes requires information on phase equilibrium and related thermodynamic properties. This paper reports the results of study on liquid-liquid equilibrium (LLE) of system containing α- pinene + water and α-terpineol + water. Binary LLE for α-pinene + water system, and α-terpineol + water systems were determined by experiment at 301K and atmospheric pressure. The two component mixture was stirred for about 30min, then the mixture was left for about 2h for complete phase separation. The composition of both phases was analyzed by using a Gas Chromatograph. The experimental data were correlated by considering both NRTL and UNIQUAC activity coefficient models. The LLE data for the system of α-pinene + water and α-terpineol + water were correlated successfully by the NRTL model. The experimental data were not satisfactorily fitted by the UNIQUAC model. The NRTL model (α =0.3) correlates the LLE data for the system of α-pinene + water at 301K with RMSD of 0.0404%. And the NRTL model (α =0.61) at 301K with RMSD of 0.0058 %. The NRTL model (α =0.3) correlates the LLE data for the system of α- terpineol + water at 301K with RMSD of 0.1487% and the NRTL model (α =0.6) at 301K with RMSD of 0.0032%, between the experimental and calculated mole fractions.

Keywords: α-Pinene, α-Terpineol, Liquid-liquid Equilibrium, NRTL model, UNIQUAC model

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 4977

Authors: D. Laiadi, A. Hasseine, A. Merzougui

Abstract:

In this work, Experimental tie-line results and solubility (binodal) curves were obtained for the ternary systems (water + acetic acid + methyl isobutyl ketone (MIBK)), (water + lactic acid+ methyl isobutyl ketone) at T = 294.15K and atmospheric pressure. The consistency of the values of the experimental tie-lines was determined through the Othmer-Tobias and Hands correlations. For the extraction effectiveness of solvents, the distribution and selectivity curves were plotted. In addition, these experimental tieline data were also correlated with NRTL model. The interaction parameters for the NRTL model were retrieved from the obtained experimental results by means of a combination of the homotopy method and the genetic algorithms.

Keywords: Liquid-liquid equilibria, homotopy methods, carboxylic acid, NRTL.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 5624

Authors: G. B. Hong, H. W. Chen

Abstract:

Liquid-Liquid Equilibrium (LLE) data are measured for the ternary mixtures of water + 1-butanol + butyl acetate and quaternary mixtures of water + 1-butanol + butyl acetate + glycerol at atmospheric pressure at 313.15 K. In addition, isothermal vapor–liquid–liquid equilibrium (VLLE) data are determined experimentally at 333.15 K. The region of heterogeneity is found to increase as the hydrophilic agent (glycerol) is introduced into the aqueous mixtures. The experimental data are correlated with the NRTL model. The predicted results from the solution model with the model parameters determined from the constituent binaries are also compared with the experimental values.

Keywords: LLE, VLLE, hydrophilic agent, NRTL.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1284

Authors: M. A. Sedghamiz, S. Raeissi

Abstract:

This study presents three different approaches to estimate bubble point pressures for the binary system of CO2 and ethyl palmitate fatty acid ethyl ester. The first method involves the Peng-Robinson (PR) Equation of State (EoS) with the conventional mixing rule of Van der Waals. The second approach involves the PR EOS together with the Wong Sandler (WS) mixing rule, coupled with the UNIQUAC GE model. In order to model the bubble point pressures with this approach, the volume and area parameter for ethyl palmitate were estimated by the Hansen group contribution method. The last method involved the Peng-Robinson, combined with the Wong-Sandler method, but using NRTL as the GE model. Results using the Van der Waals mixing rule clearly indicated that this method has the largest errors among all three methods, with errors in the range of 3.96-6.22%. The PR-WS-UNIQUAC method exhibited small errors, with average absolute deviations between 0.95 to 1.97 percent. The PR-WS-NRTL method led to the least errors, where average absolute deviations ranged between 0.65-1.7%.

Keywords: Bubble pressure, Gibbs excess energy model, mixing rule, CO2 solubility, ethyl palmitate.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1853

Authors: Arash Esmaeili, Zhibang Liu, Yang Xiang, Jimmy Yun, Lei Shao

Abstract:

High pressure carbon dioxide (CO2) absorption from a specific off-gas in a conventional column has been evaluated for the environmental concerns by the Aspen HYSYS simulator using a wide range of single absorbents and piperazine (PZ) blended solutions to estimate the outlet CO2 concentration, CO2 loading, reboiler power supply and regeneration heat duty to choose the most efficient solution in terms of CO2 removal and required heat duty. The property package, which is compatible with all applied solutions for the simulation in this study, estimates the properties based on electrolyte non-random two-liquid (E-NRTL) model for electrolyte thermodynamics and Peng-Robinson equation of state for vapor phase and liquid hydrocarbon phase properties. The results of the simulation indicate that PZ in addition to the mixture of PZ and monoethanolamine (MEA) demand the highest regeneration heat duty compared with other studied single and blended amine solutions respectively. The blended amine solutions with the lowest PZ concentrations (5wt% and 10wt%) were considered and compared to reduce the cost of process, among which the blended solution of 10wt%PZ+35wt%MDEA (methyldiethanolamine) was found as the most appropriate solution in terms of CO2 content in the outlet gas, rich-CO2 loading and regeneration heat duty.

Keywords: Absorption, amine solutions, Aspen HYSYS, CO2 loading, piperazine, regeneration heat duty.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 616

Authors: Ali Shoeb Moon, Moonyong Lee

Abstract:

The draw solute separation process in Forward Osmosis desalination was simulated in Aspen Plus chemical process modeling software, to estimate the energy consumption and compare it with other desalination processes, mainly the Reverse Osmosis process which is currently most prevalent. The electrolytic chemistry for the system was retrieved using the Elec – NRTL property method in the Aspen Plus database. Electrical equivalent of energy required in the Forward Osmosis desalination technique was estimated and compared with the prevalent desalination techniques.

Keywords: Desalination, Energy, Forward Osmosis, Separation

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 4053

Authors: Seema Kapoor, Baljinder K. Gill, V. K. Rattan

Abstract:

Isobaric vapor-liquid equilibrium measurements are reported for the binary mixture of Methyl acetate and Isopropylbenzene at 97.3 kPa. The measurements have been performed using a vapor recirculating type (modified Othmer's) equilibrium still. The mixture shows positive deviation from ideality and does not form an azeotrope. The activity coefficients have been calculated taking into consideration the vapor phase nonideality. The data satisfy the thermodynamic consistency tests of Herington and Black. The activity coefficients have been satisfactorily correlated by means of the Margules, NRTL, and Black equations. A comparison of the values of activity coefficients obtained by experimental data with the UNIFAC model has been made.

Keywords: Binary mixture, Isopropylbenzene, Methyl acetate, Vapor-liquid equilibrium.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2202

Authors: V. K. Rattan, Baljinder K. Gill, Seema Kapoor

Abstract:

Isobaric vapor-liquid equilibrium measurements are reported for binary mixture of 2-Methyltetrahydrofuran and Cumene at 97.3 kPa. The data were obtained using a vapor recirculating type (modified Othmer's) equilibrium still. The mixture shows slight negative deviation from ideality. The system does not form an azeotrope. The experimental data obtained in this study are thermodynamically consistent according to the Herington test. The activity coefficients have been satisfactorily correlated by means of the Margules, and NRTL equations. Excess Gibbs free energy has been calculated from the experimental data. The values of activity coefficients have also been obtained by the UNIFAC group contribution method.

Keywords: Binary mixture, 2-Methyltetrahydrofuran, Cumene, Vapor-liquid equilibrium, UNIFAC, Excess Gibbs free energy.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2720

Authors: Seema Kapoor, Sushil K. Kansal, Baljinder K. Gill, Aarti Sharma, Swati Arora

Abstract:

Isobaric vapor-liquid equilibrium measurements are reported for the binary mixtures of Mesitylene + 1-Heptanol and Mesitylene + 1-Octanol at 97.3 kPa. The measurements have been performed using a vapor recirculating type (modified Othmer's) equilibrium still. Both the mixtures show positive deviation from ideality. The Mesitylene + 1-Heptanol mixture forms an azeotrope whereas Mesitylene + 1- Octanol form a non – azeotropic mixture. The activity coefficients have been calculated taking into consideration the vapor phase nonideality. The data satisfy the thermodynamic consistency tests of Herington, and Hirata. The activity coefficients have been satisfactorily correlated by means of the Margules, Redlich-Kister, Wilson, Black, and NRTL equations. The activity coefficient values have also been obtained by UNIFAC method.

Keywords: Binary mixture, Mesitylene, Vapor-liquid equilibrium, 1-Heptanol, 1-Octanol.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1946

Authors: Baljinder K. Gill, V. K. Rattan, Seema Kapoor

Abstract:

Isobaric vapor-liquid equilibrium measurements are reported for the binary mixtures of n-Butylamine and Triethylamine with Cumene at 97.3 kPa. The measurements have been performed using a vapor recirculating type (modified Othmer's) equilibrium still. The binary mixture of n-Butylamine + Cumene shows positive deviation from ideality. Triethylamine + Cumene mixture shows negligible deviation from ideality. None of the systems form an azeotrope. The activity coefficients have been calculated taking into consideration the vapor phase nonideality. The data satisfy the thermodynamic consistency test of Herington. The activity coefficients have been satisfactorily correlated by means of the Margules, NRTL, and Black equations. The activity coefficient values obtained by the UNIFAC model are also reported.

Keywords: Binary mixture, cumene, n-butylamine, triethylamine, vapor-liquid equilibrium.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1916

Authors: Arash Esmaeili, Zhibang Liu, Yang Xiang, Jimmy Yun, Lei Shao

Abstract:

A high pressure carbon dioxide (CO₂) absorption from a specific gas in a conventional column has been evaluated by the Aspen HYSYS simulator using a wide range of single absorbents and blended solutions to estimate the outlet CO₂ concentration, absorption efficiency and CO₂ loading to choose the most proper solution in terms of CO₂ capture for environmental concerns. The property package (Acid Gas-Chemical Solvent) which is compatible with all applied solutions for the simulation in this study, estimates the properties based on an electrolyte non-random two-liquid (E-NRTL) model for electrolyte thermodynamics and Peng-Robinson equation of state for the vapor and liquid hydrocarbon phases. Among all the investigated single amines as well as blended solutions, piperazine (PZ) and the mixture of piperazine and monoethanolamine (MEA) have been found as the most effective absorbents respectively for CO₂ absorption with high reactivity based on the simulated operational conditions.

Keywords: Absorption, amine solutions, Aspen HYSYS, carbon dioxide, simulation.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 584

Authors: Zare Aliabad, H., Mirzaei, S.

Abstract:

This work presents a theoretical investigation of the simultaneous absorption of CO2 and H2S into aqueous solutions of MDEA and DEA. In this process the acid components react with the basic alkanolamine solution via an exothermic, reversible reaction in a gas/liquid absorber. The use of amine solvents for gas sweetening has been investigated using process simulation programs called HYSYS and ASPEN. We use Electrolyte NRTL and Amine Package and Amines (experimental) equation of state. The effects of temperature and circulation rate and amine concentration and packed column and murphree efficiency on the rate of absorption were studied. When lean amine flow and concentration increase, CO2 and H2S absorption increase too. With the improvement of inlet amine temperature in absorber, CO2 and H2S penetrate to upper stages of absorber and absorption of acid gases in absorber decreases. The CO2 concentration in the clean gas can be greatly influenced by the packing height, whereas for the H2S concentration in the clean gas the packing height plays a minor role. HYSYS software can not estimate murphree efficiency correctly and it applies the same contributions in all diagrams for HYSYS software. By improvement in murphree efficiency, maximum temperature of absorber decrease and the location of reaction transfer to the stages of bottoms absorber and the absorption of acid gases increase.

Keywords: Absorber, DEA, MDEA, Simulation.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 17317