Isobaric Vapor Liquid Equilibrium Research Articles

Isobaric Vapor–Liquid Equilibrium for Binary Mixtures Composed of Pentamethylene Diisocyanate, 5-Chloropentyl Isocyanate, and Chlorobenzene at 10 kPa

Isobaric Vapor–Liquid Equilibrium for Binary Mixtures Composed of Pentamethylene Diisocyanate, 5-Chloropentyl Isocyanate, and Chlorobenzene at 10 kPa

Isobaric Vapor–Liquid Equilibrium of Binary Mixtures of 2-Methylpentanedioic Acid Dimethyl Ester and Dimethyl Adipate at 101.3, 50.0, 30.0, and 10.0 kPa

Isobaric Vapor–Liquid Equilibrium of Binary Mixtures of 2-Methylpentanedioic Acid Dimethyl Ester and Dimethyl Adipate at 101.3, 50.0, 30.0, and 10.0 kPa

Vapor-Liquid Equilibrium Measurement of Systems Containing Glycerol for Separation Process of Glycerol as a By-Product of Biodiesel

The most popular technique to produce biodiesel were uses alcohol as a catalyst to transesterify triglycerides. The biodiesel transesterification process has a by-product in the form of glycerol which has a high selling value. Equilibrium data of glycerol and alcohol mixtures is limited in equilibrium conditions and systems which causes the glycerol purification process may not be designed and operated optimally. This research aims to obtain experimentally isobaric vapor-liquid equilibrium of methanol + glycerol binary system at 31.3, 61.3, and 100.8 kPa. A modified Glass Othmer-Still was utilised to carry out the experiment. Refractometer index type Bausch and Lomb ABBE was used to examine the equilibrium composition of the liquid and vapor phases. Using the L-W thermodynamic consistency test method, the experimental data used in this work were shown to be thermodynamically consistent. The experimental data were correlated well with the Wilson, Non-Random Two Liquid (NRTL), and Universal Quasi-Chemical (UNIQUAC) models with absolute average deviation in temperatures (AADT) and that in vapor compositions (AADy) smaller than 0.3% and 0.2%, respectively. The Universal Chemical Functional Group Activity Coefficient (UNIFAC) in predicting VLE the system studied showed good performance giving AADT and AADy smaller than 7.4% and 0.04%, respectively.

Isobaric Vapor-Liquid Equilibrium of Methyl Salicylate + Ethyl Salicylate and Methyl Salicylate + α-Pinene Binary Systems at 20.0 and 50.0 kPa

Gandapura oil, also called wintergreen oil in international trade, is evaluated based on the purity of its methyl salicylate content. Gandapura oil has several impurities including mainly ethyl salicylate and α-pinene, which can lower its quality and price. Indonesian local farmer’s gandapura oil has a low methyl salicylate content of only 82.23%, and appears in a dark red colour instead of clear. The low grade product may have been caused by thermal degradation of compounds within gandapura oil by constant heating during atmospheric distillation at temperature above its thermal threshold. The determination of their vapor-liquid equilibrium data can provide basic data for the separation and purification of methyl salicylate towards its two main impurities in gandapura oil. The vacuum pressure condition was selected to lower the distillation temperature, aiming to reduce the chance of thermal decomposition. The vapor-liquid equilibrium under isobaric conditions in the binary systems of methyl salicylate + ethyl salicylate and methyl salicylate + α-Pinene at 20.0 and 50.0 kPa were measured experimentally using modified Glass Othmer-Still. Gas Chromatography (GC) was utilized to analyze the composition of both the liquid and vapor phases in the samples. The thermodynamic consistency of experimental data was confirmed through the L-W Wisniak method. The experimental results were successfully correlated with Wilson, NRTL, and UNIQUAC models. The average absolute deviations of temperature (AAD T) and vapor phase composition (AAD y) between experimental data and models are less than 0.8058 and 0.0196, respectively for all systems. In terms of quality, all samples collected post-experiment maintained a clear color, suggesting that vacuum pressure distillation effectively prevents the thermal decomposition of compounds in gandapura oil.

Separation of near-boiling mixtures (acetic acid and water) enhanced by ionic liquid

Acetic acid aqueous solution is a common and typical near-boiling mixture in the petroleum, chemical, polymer, pharmaceutical and food industries. Because of the large number of ideal plates for separating acetic acid and water by ordinary distillation, the energy consumption and production cost are high. Designable ionic liquids (ILs) and deep eutectic solvents (DESs) are environmentally-friendly entrainers for extractive distillation. Many azeotropic systems enhanced by adding ILs or DESs have been studied, but the near-boiling water/acetic acid system is rarely discussed.In this study, an IL 1,2,3-trimethylimidazolium dimethylphosphate ([TMIM]+[Me2PO4]−) with easy synthesis, low production cost and good thermal stability was employed as the rectification entrainer for water/acetic acid system, while the DESs were easy to react in acetic acid aqueous solution and was abandoned. First, the relative volatility of water (1) and acetic acid (2) at the more difficult separation point (x1′ = 0.9) was measured using a modified Othmer still at 101.32 kPa. When the mole fraction of entrainers was 0.071, these relative volatilities were 2.80 (n,n-dimethylformamide), 2.88 (1-methyl-2-pyrrolidinone), 4.82 ([TMIM]+[Me2PO4]−) respectively. The separation performance of [TMIM]+[Me2PO4]− was 67% higher than that of 1-methyl-2-pyrrolidinone. Then, the effect of [TMIM]+[Me2PO4]− concentration on the relative volatility was investigated. The relative volatility was dramatically increased from 1.60 to 6.85 with 0–0.103 mol fraction of [TMIM]+[Me2PO4]− and was 4.28 times that in an IL-free system. After that, isobaric vapor–liquid equilibrium (VLE) data of water + acetic acid, water + [TMIM]+[Me2PO4]− and water + acetic acid + [TMIM]+[Me2PO4]− ([TMIM]+[Me2PO4]− at ∼ 5, 15, and 25 mass%) systems were determined at 101.32 kPa. Also, Based on the chemical theory and Hayden–O’Connell method, the binary energy parameters of the NRTL (Non-Random-Two-Liquid) model for these systems were regressed and the predicted values were found to fit the experimental VLE data quite well..For the first time, we have found that [TMIM]+[Me2PO4]− as an entrainer is superior to conventional volatile solvents for water/acetic acid distillation in terms of performance, which provides more choices and imagination for industry. At the same time, it promotes understanding of the influence of IL structure on water/acetic acid separation performance, and is also an important inspiration for the distillation of other near-boiling systems.

Isobaric vapour-liquid equilibrium for systems of propionic acid, butanoic acid and 1,4-butyrolactone at 15.0 kPa

Isobaric vapour-liquid equilibrium (VLE) data for binary systems containing propionic acid (PA) + 1,4-butyrolactone (GBL), butyric acid (BA) + GBL, and PA + BA at 15.0 kPa were measured by using a modified Othmer still. VLE data show that these binary systems are all positive deviation solutions unlike the ideal system. The Herington area test was conducted to confirm the thermodynamic consistency of these binary systems, and positive results were obtained. The interaction energy (Einter) between these components was calculated by molecular simulation to explain the VLE behaviors. Simulation results showed that strongly interacting dihydrogen bonds can form between these acids, which indicated that stable dimer should be present in the vapour phase. In addition, the associating behavior in vapour was corrected using chemical theory, and the activity coefficients of liquid were correlated by the Wilson, the NRTL, and the UNIQUAC models. The correlated results agree well with the experimental values.

Isobaric Vapor–Liquid Equilibrium Prediction from Excess Molar Enthalpy Using Cubic Equations of State and PC-SAFT

Isobaric Vapor–Liquid Equilibrium Prediction from Excess Molar Enthalpy Using Cubic Equations of State and PC-SAFT

Correction to “Isobaric Vapor–Liquid Equilibrium Experiment of Methyl Acetate + Ethanol Containing Different Ionic Liquids at 101.3 kPa”

ADVERTISEMENT RETURN TO ARTICLES ASAPAddition/CorrectionNEXTORIGINAL ARTICLEThis notice is a correctionCorrection to “Isobaric Vapor–Liquid Equilibrium Experiment of Methyl Acetate + Ethanol Containing Different Ionic Liquids at 101.3 kPa”Feihu LiFeihu LiMore by Feihu Lihttps://orcid.org/0000-0001-5624-4467, Jiaming ZhuJiaming ZhuMore by Jiaming Zhu, Xiwei HuXiwei HuMore by Xiwei Huhttps://orcid.org/0000-0002-4383-6030, Linjun SunLinjun SunMore by Linjun Sun, Hongkang ZhaoHongkang ZhaoMore by Hongkang Zhao, Zhongqi RenZhongqi RenMore by Zhongqi Ren, and Qunsheng Li*Qunsheng LiMore by Qunsheng Lihttps://orcid.org/0000-0002-1908-9418Cite this: J. Chem. Eng. Data 2023, XXXX, XXX, XXX-XXXPublication Date (Web):June 12, 2023Publication History Received31 May 2023Published online12 June 2023https://doi.org/10.1021/acs.jced.3c00329© 2023 American Chemical SocietyRIGHTS & PERMISSIONSArticle Views-Altmetric-Citations-LEARN ABOUT THESE METRICSArticle Views are the COUNTER-compliant sum of full text article downloads since November 2008 (both PDF and HTML) across all institutions and individuals. These metrics are regularly updated to reflect usage leading up to the last few days.Citations are the number of other articles citing this article, calculated by Crossref and updated daily. Find more information about Crossref citation counts.The Altmetric Attention Score is a quantitative measure of the attention that a research article has received online. Clicking on the donut icon will load a page at altmetric.com with additional details about the score and the social media presence for the given article. Find more information on the Altmetric Attention Score and how the score is calculated. Share Add toView InAdd Full Text with ReferenceAdd Description ExportRISCitationCitation and abstractCitation and referencesMore Options Share onFacebookTwitterWechatLinked InReddit PDF (698 KB) Get e-Alertsclose Get e-Alerts

Isobaric Vapor–Liquid Equilibrium Experiment of Methyl Acetate + Ethanol Containing Different Ionic Liquids at 101.3 kPa

Vapor–liquid phase equilibrium experiments for the binary system of methyl acetate + ethanol and ternary systems of methyl acetate + ethanol + 1-ethyl-3-methylimidazole acetate ([EMIM][OAC]), methyl acetate + ethanol + 1-butyl-3-methylimidazole acetate ([BMIM][OAC]), and methyl acetate + ethanol + 1-ethyl-3-methylimidazolium methanesulfonate ([EMIM][MeSO3]) were conducted at 101.3 kPa. The results show that all three extractants can effectively break the azeotrope of methyl acetate + ethanol. The ILs produce a salting-out effect on methyl acetate and increase the relative volatility of methyl acetate to ethanol. The NRTL model has been chosen to correlate the experimental data. The ARD (average relative deviation) of the activity coefficient of NRTL for the binary system of methyl acetate + ethanol and ternary systems of methyl acetate + ethanol + [EMIM][OAC], methyl acetate + ethanol + [BMIM][OAC], and methyl acetate + ethanol + [EMIM][MeSO3] is 1.22, 1.88, 1.64, and 1.57%, respectively, indicating the good applicability of NRTL.

Isobaric Vapor–Liquid Equilibrium for Binary System of 2-Methylpyridine + 2-Vinylpyridine at (1.9, 4.0 and 5.3) kPa

Isobaric Vapor–Liquid Equilibrium for Binary System of 2-Methylpyridine + 2-Vinylpyridine at (1.9, 4.0 and 5.3) kPa

Density, Excess Molar Volume and Vapor–Liquid Equilibrium Measurements at 101.3 kPa for Binary Mixtures Containing Ethyl Acetate and a Branched Alkane: Experimental Data and Modeling

Vapor–liquid equilibrium (VLE) and density data for binary systems of branched alkanes + ethyl acetate are scarce in the literature. In this study, the binary mixtures 3-methylpentane + ethyl acetate and 2,3-dimethylbutane + ethyl acetate were investigated. Density measurements at atmospheric pressure were performed using a vibrating tube density meter at 293.15, 298.15 and 303.15 K. Large and positive excess molar volumes were calculated and correlated using a Redlich–Kister-type equation. Isobaric VLE data at 101.3 kPa were obtained using a Gillespie-type recirculation ebulliometer. Equilibrium compositions were determined indirectly from density measurements. The experimental data were checked for consistency by means of the Fredenslund test and the Wisniak (L-W) test and were then successfully correlated using the NRTL model. The newly studied binary systems display high deviations from ideality and minimum boiling azeotropes, the coordinates of which are reported in this work.

Conceptual design and process construction of [formula omitted]-propyl propionate production by reactive distillation

The purpose of this work is to perform the conceptual design and process construction of n-propyl propionate synthesis by reactive distillation. Firstly, the reaction kinetic and thermodynamic models were summarized. The isobaric vapor-liquid equilibrium data of the binary systems 1-propanol (1) + n-propyl propionate (2) and propionic acid (1) + n-propyl propionate (2) were measured. The UNIQUAC model was used to describe the thermodynamic behavior of this system. Secondly, non-reactive residue curve maps and reactive residue curve maps analyses were used for conceptual design to obtain the preliminary configuration and operating conditions of the reactive distillation column. Finally, the sensitivity analysis was used to evaluate the preliminary process configuration and identify key operational variables.

Measurement and Correlation of Isobaric Vapor–Liquid Equilibrium Data for n-Hexane, Methylcyclopentane and N,N-Dimethylamide Systems at 101.3 kPa

Measurement and Correlation of Isobaric Vapor–Liquid Equilibrium Data for n-Hexane, Methylcyclopentane and N,N-Dimethylamide Systems at 101.3 kPa

Isobaric Vapor–Liquid Equilibrium of the Binary Mixtures Toluene + Styrene and Styrene + α-Methylstyrene

Isobaric vapor–liquid equilibria of the binary mixtures toluene + styrene at 30 and 40 kPa and styrene + α-methylstyrene at 20 and 25 kPa were measured applying a recirculation still. The measured vapor–liquid equilibrium data were modeled adopting the non-random two-liquid (NRTL) excess Gibbs energy model with the RK (Redlich–Kwong) equation of state. The NRTL binary interaction parameter optimization was carried out employing own measured data and literature data for the toluene + styrene system. The applied model correlates well with the experimental data at the pressure range of 101–30 kPa. Moreover, the NRTL binary parameter regression was performed applying own measured data and literature data separately for the styrene + α-methylstyrene system. The model fitted with the parameters obtained from own measured data described the multiphase behavior of the system better than the parameters obtained from literature data. Additionally, the binary systems showed ideal behavior over the whole range of investigation as the calculated activity coefficients approached unity and no azeotropes were observed.

Isobaric Vapor–Liquid Equilibrium Experiment of N-Propanol and N-Propyl Acetate at 101.3 kPa

N-Propanol (NPA) and n-propyl acetate (NPAC) can form an azeotrope under normal pressure, so their separation cannot be carried out by conventional distillation. Therefore, 1-butyl-3-methylimidazole acetate ([BMIM][OAC]) and ethylene glycol (EG) were selected as entrainers for extractive distillation of the two substances. Isobaric vapor–liquid equilibrium data were obtained by experiments of NPA + NPAC, NPA + NPAC + [BMIM][OAC], and NPA + NPAC + EG at normal pressure; the experimental results showed that the separation effect of [BMIM][OAC] is significantly better than that of EG. Finally, the data were fitted and correlated with the NRTL model. The ARD (average relative deviation) of NPA + NPAC, NPA + NPAC + [BMIM][OAC], and NPA + NPAC + EG is less than 5%, indicating that the NRTL model has good applicability to the vapor–liquid system.

Isobaric Vapor–Liquid Equilibrium for Ethyl Acetate + Chloroform with Ionic Liquids [EMIM][OAc], [BMIM][OAc], and DMSO + [EMIM][OAc] as Entrainers at 101.3 kPa

Ionic liquid 1-ethyl-3-methylimidazolium acetate ([EMIM][OAc]), 1-butyl-3-methylimidazolium acetate ([BMIM][OAc]), and a mixture of [EMIM][OAc] and dimethyl sulfoxide (DMSO) were used as solvents to separate the maximum boiling azeotropic mixture of ethyl acetate and chloroform. The ternary vapor–liquid equilibrium (VLE) data of ethyl acetate + chloroform + [EMIM][OAc] were measured at 101.3 kPa. The liquid phase is partially soluble when the concentration of ethyl acetate and [EMIM][OAc] is high in the ternary system, and DMSO is employed to enhance the solubility of [EMIM][OAc] in ethyl acetate. Different entrainers were compared by measuring the VLE of ethyl acetate + chloroform + DMSO, ethyl acetate + chloroform + [BMIM][OAc], and ethyl acetate + chloroform + [EMIM][OAc] + DMSO at 101.3 kPa. All of the entrainers can improve the relative volatility of ethyl acetate to chloroform. The salting-out effects of the ILs [EMIM][OAc] and [BMIM][OAc] are significantly greater than that of DMSO. Organic solvent DMSO can enhance the selectivity of [EMIM][OAc] at high ethyl acetate concentration. The effects of the entrainers were analyzed by sigma-profiles. The nonrandom two-liquid (NRTL) activity coefficient model was adopted to correlate the experimental data. The binary interaction parameters of the NRTL equation were obtained, and the correlation results agreed well with experimental results.

Density, viscosity, saturated vapor pressure, and isobaric vapor–liquid equilibrium for 4‑fluoronitrobenzene and 2-fluoronitrobenzene

Density and viscosity data of pure liquid 4‑fluoronitrobenzene and 2‑fluoronitrobenzene were determined in the temperature range from 303.15 to 353.15 K at the local atmospheric pressure of 100.8 kPa. Saturated vapor pressures of the two isomers and isobaric vapor–liquid equilibrium (VLE) data for the binary system of the two isomers at 10.0 kPa were measured experimentally by a modified Rose still. The relationship of density to temperature is accurately correlated by the DIPPR equation. The viscosity data were well described by the Litovitz, Ghatee, VFT, and Andrade equations. Among them, Andrade equation shows the best accuracy. Both Antoine and Riedel equations can successfully correlate the relationship between saturated vapor pressure and temperature, while Riedel equation is more accurate due to the small average relative deviation. The binary VLE data were correlated with NRTL and Wilson models, and the binary interaction parameters were obtained. The VLE data predicted by the obtained parameters are in good agreement with the experimental data, and the binary system did not exhibit azeotropic behavior. The thermodynamic properties of the pure components described above and the vapor–liquid equilibrium data provided are critical for the design and operation of the distillation of the isomeric mixture of 4‑fluoronitrobenzene + 2-fluoronitrobenzene.

Measurement and Correlation of Vapor–Liquid Equilibrium Data of the Toluene, o-Chlorotoluene, and p-Chlorotoluene System at 101.3 kPa

Toluene, an excellent organic solvent, is used in various chemical reactants and carbon nanomaterials, and its recycling can potentially alleviate related environmental problems. Isobaric vapor–liquid equilibrium (VLE) data at 101.3 kPa for (toluene + o-chlorotoluene), (toluene + p-chlorotoluene), and (o-chlorotoluene + p-chlorotoluene) were measured in this study. The experimental data were tested using the Fredenslund test and the Van Ness test. NRTL, Wilson, and UNIQUAC models were employed to correlate the new VLE data, depicting that all models were fitted well. The above three activity coefficient models were used to regress the binary interaction parameters, where the root-mean-square deviation (RMSD) and the average absolute deviation (AAD) results indicated that the experimental and thermodynamic model data were within a reasonable range. Although VLE data showed that the binary systems are non-azeotropic, toluene and o-chlorotoluene, or toluene and p-chlorotoluene are well separated by rectification, and the separation of o-chlorotoluene and p-chlorotoluene using distillation may need a significant number of stages.

Separation of isopropyl alcohol + isopropyl acetate azeotropic mixture: Selection of ionic liquids as entrainers and vapor–liquid equilibrium validation

Based on the COSMO-SAC model, 1-ethyl-3-methylimidazolium acetate and 1-ethyl-3-methylimidazolium p -toluenesulfonate were selected from 30 ILs as entrainers to investigate the separation of the isopropyl alcohol + isopropyl acetate azeotrope. Two screening indicators, σ -profile and infinite dilution selectivity ( S ∞ ), were adopted as the basis. The isobaric vapor–liquid equilibrium experiments for isopropyl alcohol + isopropyl acetate binary system and isopropyl alcohol + isopropyl acetate + confirmed ILs ternary systems were performed at the pressure of atmospheric pressure. The experimental measurement demonstrated that the adopt ILs enhanced the relative volatility of the above alcohol-ester azeotrope, leading to the elimination of the azeotropic point with a certain amount ILs. Meanwhile, the thermodynamic correlation for two systems containing ILs was explored with the NRTL model, which also reflects the extensive applicability of that by comparing the deviation between experimental and calculated data. And its binary interaction parameters were regressed, which can provide a basis for its simulation process.

Isobaric Vapor–Liquid Equilibrium for the Mixture of Neohexane, Cyclopentane and N,N-Dimethylformamide at 101.3 kPa

Isobaric Vapor–Liquid Equilibrium for the Mixture of Neohexane, Cyclopentane and N,N-Dimethylformamide at 101.3 kPa