Journal of Chemical Thermodynamics最新文献

{"title":"Liquid to solid phase transition detection by using a vibrating tube densimeter along with densities up to 137 MPa of beef tallow fatty acid alkyl esters","authors":"Ricardo García-Morales ,&nbsp;Francisco J. Verónico-Sánchez ,&nbsp;José Domenzaín-González ,&nbsp;Abel Zúñiga-Moreno ,&nbsp;Christian Bouchot ,&nbsp;Octavio Elizalde-Solis","doi":"10.1016/j.jct.2024.107259","DOIUrl":"10.1016/j.jct.2024.107259","url":null,"abstract":"<div><p>Phase behavior and thermophysical properties of biodiesel at high pressure and high temperature are limited in the literature. These are useful to develop models and to understand their behavior having in mind the use of biodiesel in engines. Liquid to solid phase transitions, by using a vibrating tube densimeter, along with densities of three beef tallow fatty acid alkyl esters were studied in this work. Measurements of the oscillating period for each biofuel were carried out in a modular array constituted by two vibrating tube densimeters coupled in series and connected to a single loading cell. The oscillating period was converted to density by the forced path mechanical calibration (FPMC) method. Experimental liquid density sets for three beef tallow biodiesel samples based on fatty acid alkyl esters (FAAEs) are reported for the first time for pressures up to 137 MPa. These biofuels, named fatty acid methyl esters (FAMEs), fatty acid ethyl esters (FAEEs) and fatty acid butyl esters (FABEs), were measured in the temperature range of 286–393 K. The detection procedure for the beginning of the high-pressure solidification was focused on the beef tallow FABEs sample based upon its lower cloud point (<em>CP</em>_FABEs = 281.15 K) in comparison with the reported property for the other esters (<em>CP</em>_FAEEs = 289.15 K, <em>CP</em>_FAMEs = 291 K) with the same feedstock; therefore, the conditions for the metastable liquid to solid phase transition associated to the effect of high pressure was detailed for waste beef tallow butyl ester biodiesel by performing step-by-step compressions in the interval of 286.20–298.13 K and with the help of the vibrating tube densimeters. FABEs had the lower density in contrast with FAEEs and FAMEs, this one being the denser biofuel. Modeling of liquid density data was performed by the perturbed-chain statistical associating fluid theory (PC-SAFT) Equation of State and the Tammann-Tait equation with maximum absolute average deviations of 0.15 % and 0.05 %, respectively. Both models were applied for correlating the thermodynamic derived properties of the fluid phase: isobaric thermal expansivity and isothermal compressibility.</p></div>","PeriodicalId":54867,"journal":{"name":"Journal of Chemical Thermodynamics","volume":null,"pages":null},"PeriodicalIF":2.6,"publicationDate":"2024-01-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139506504","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Solubility measurements and molecular dynamics simulations of perphenazine (form I) in three binary solvent systems","authors":"Jingyi Huang,&nbsp;Yaxin Ding,&nbsp;Peng Shen,&nbsp;Zidan Cao,&nbsp;Yu Li,&nbsp;Tao Li,&nbsp;Baozeng Ren","doi":"10.1016/j.jct.2024.107258","DOIUrl":"10.1016/j.jct.2024.107258","url":null,"abstract":"<div><p>This study aimed to investigate the perphenazine (form I)’s solubility in three binary solvent systems: acetone + water, n-propanol + water, and N,N-dimethylformamide (DMF) + water, within the temperature range of 278.15 K to 318.15 K. The solubility data were obtained using a dynamic method and fitted using four models: the NRTL model, modified Apelblat equation, CNIBS/R-K model, and Jouyban-Acree model. All four models provided satisfactory fitting results, with the CNIBS/R-K model exhibiting the best performance. In all cases, it was observed that the solubility of perphenazine (form I) exhibited a positive correlation with temperature while keeping the solvent composition constant. Specifically, in the DMF + water binary solvent system, the solubility of perphenazine (form I) increased with higher mass fractions of the positive solvent. Additionally, the phenomenon of co-solvency was observed when perphenazine (form I) was dissolved in the acetone + water and n-propanol + water binary solvent systems. To gain insights into the intermolecular interactions within the perphenazine (form I) crystal, Hirshfeld surface (HS) analysis was employed. The Dmol3 module was used to calculate the electrostatic potential of perphenazine molecules, followed by molecular dynamics simulation, analysis of the solute–solvent and solvent–solvent radial distribution functions (RDF), and calculation of solvation free energy. Overall, this study enhances the understanding of the dissolution behavior of perphenazine (form I) and provides valuable data to support further investigations into its crystallization process.</p></div>","PeriodicalId":54867,"journal":{"name":"Journal of Chemical Thermodynamics","volume":null,"pages":null},"PeriodicalIF":2.6,"publicationDate":"2024-01-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139475303","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Densities and excess molar volumes of thiophene + heptane and thiophene + octane at temperatures between (313 K and 363) K and pressures up to 25 MPa using three calibration methods","authors":"Rubén P. Mendo-Sánchez ,&nbsp;Alfredo Pimentel-Rodas ,&nbsp;Angel M. Notario-López ,&nbsp;Luis A. Galicia-Luna","doi":"10.1016/j.jct.2024.107250","DOIUrl":"10.1016/j.jct.2024.107250","url":null,"abstract":"<div><p>New compressed liquid densities (ρ) of thiophene + heptane and thiophene + octane are reported in the temperature range from (313 to 363) K, with pressure up to 25 MPa. The compositions are x(1) = 0.1049, 0.2471, 0.5097, 0.7494, and 0.8994 for thiophene (1) + heptane (2), and x(1) = 0.1042, 0.2530, 0.5037, 0.7516, and 0.8988 for thiophene (1) + octane (2). The experimental system uses a vibrating tube densimeter (VTD) and three calibration methods (the first uses hexane and water, the second uses nitrogen and water, and the third uses water and applying vacuum to the VTD as calibration reference fluids). The reported density data are determined using the third method, which notifies the lowest uncertainty and estimates a maximum relative expanded uncertainty (<span><math><mrow><mi>k</mi><mo>=</mo><mn>2</mn></mrow></math></span>) of 0.21 % in the temperature range from (313 to 363) K and pressures up to 25 MPa. The pure compound densities were calculated from previous density measurements represented by the Pimentel-Galicia model. This empirical correlation of the pure compounds was used before for the excess molar volume calculation. The experimental data of the mixtures reported in this work were modeled by the Pimentel-Galicia model at each composition with deviations not higher than 0.07 %. The combined standard uncertainty for composition (considering the purities of the samples) is <span><math><mrow><msub><mi>u</mi><mi>c</mi></msub><mfenced><mrow><mi>x</mi></mrow></mfenced><mo>=</mo></mrow></math></span> 0.0026. Finally, the isothermal compressibility and isobaric thermal expansivity were evaluated from density data.</p></div>","PeriodicalId":54867,"journal":{"name":"Journal of Chemical Thermodynamics","volume":null,"pages":null},"PeriodicalIF":2.6,"publicationDate":"2024-01-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139375023","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Molecular dynamics simulation, thermodynamic parameters and solute–solvent molecular interactions of cilostazol (form A) dissolution in (ethylene glycol / ethanol + water) mixtures","authors":"Guanghua Xia ,&nbsp;Zhengyang Luo ,&nbsp;Yong Yang ,&nbsp;Li Chen ,&nbsp;Rongrong Li ,&nbsp;Cunbin Du ,&nbsp;Yang Yu","doi":"10.1016/j.jct.2024.107249","DOIUrl":"10.1016/j.jct.2024.107249","url":null,"abstract":"<div><p>This research work reports the cilostazol (form A) dissolution in (ethylene glycol / ethanol + water) mixtures. The co-solvency phenomenon only occurs in mixture of ethanol + water, the maximum solubility in mole fraction is 3.034 × 10^-3 at the composition of 0.85. It was found that the solvation performance of cilostazol in two mixtures mainly depend on the ability of forming hydrogen bond (H-bond) of the solutions and van der Waals interaction. According to the preferential solvation results, it is conjecturable that cilostazol molecules are preferentially solvated by water in water-rich regions. With the increase of alcohol concentration, the destruction of water molecular ordered structure by alcohol through hydrogen bond, and solute molecules are preferentially solvated by ethanol and EG. Nonetheless, when 0.86 &lt; <em>x</em>₁ &lt; 1 in mixture of ethanol + water, solute molecules are preferentially solvated by water again. The calculation of radial distribution function (RDF) between the atoms of H and O for ethanol and the atoms of N and H for solute is to achieve the interaction of the solute and solvents. The correlation fitting was performed for the solubility data through Jouyban Acree model and its derivative models, and the statistical analysis showed that the Apelblat-Jouyban Acree model is more suitable to present the solubility correlation. Meanwhile, the values of apparent molar standard dissolution enthalpy (<span><math><mrow><mi>Δ</mi><msubsup><mi>H</mi><mrow><mtext>sol</mtext></mrow><mtext>o</mtext></msubsup></mrow></math></span>) and apparent molar standard dissolution entropy (<span><math><mrow><mi>Δ</mi><msubsup><mi>S</mi><mrow><mtext>sol</mtext></mrow><mtext>o</mtext></msubsup></mrow></math></span>) are positive in each solvents, which reveals that the dissolution process of cilostazol form A is endothermic and entropy favorable within the given temperature range.</p></div>","PeriodicalId":54867,"journal":{"name":"Journal of Chemical Thermodynamics","volume":null,"pages":null},"PeriodicalIF":2.6,"publicationDate":"2024-01-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139375294","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Determination and correlation of LLE data for n-hexane, ethyl acetate and different extractants","authors":"Fangfang Dai,&nbsp;Jiangting Cao,&nbsp;Na Liu,&nbsp;Meiyuan Peng,&nbsp;Chen Wang","doi":"10.1016/j.jct.2024.107257","DOIUrl":"10.1016/j.jct.2024.107257","url":null,"abstract":"<div><p><span>In order to separate n-hexane/ethyl acetate (EA) produced in industrial production, the liquid–liquid extraction was used to separate the azeotropic system with sulfolane, 1,2-propanediol and dimethyl sulfoxide (DMSO) as extractants. The liquid–liquid equilibrium (LLE) data of the n-hexane + EA + sulfolane/1,2-propanediol/DMSO were measured at 303.15 K, 313.15 K and 323.15 K. The extraction capacity of the extractants were evaluated by the distribution coefficient (D) and separation factor (S). The LLE data were correlated using the NRTL and UNIQUAC thermodynamic models to obtain binary interaction parameters. The root mean square deviation (RMSD) were all less than 0.02 indicating that the two models were suitable for the phase equilibrium behavior. GUI-MATLAB software was used to test the reliability of the regressed binary interaction parameters. The Dmol</span>³ module of the Materials Studio was used to analyze σ-profile of n-hexane, EA and extractants and to assess the interaction energy between the components. The results show that sulfolane is the best extractant for the separation of n-hexane + EA.</p></div>","PeriodicalId":54867,"journal":{"name":"Journal of Chemical Thermodynamics","volume":null,"pages":null},"PeriodicalIF":2.6,"publicationDate":"2024-01-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139375250","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Density, viscosity, and CO2 solubility in ether-functionalized phosphonium-based bis(trifluoromethanesulfonyl)amide ionic liquids","authors":"Yuki Suzuki ,&nbsp;Kota Takahashi ,&nbsp;Masaki Watanabe ,&nbsp;Daisuke Kodama ,&nbsp;Takashi Makino ,&nbsp;Mitsuhiro Kanakubo ,&nbsp;Eri Hamanishi ,&nbsp;Tsutomu Watanabe ,&nbsp;Masashi Sugiya","doi":"10.1016/j.jct.2024.107248","DOIUrl":"10.1016/j.jct.2024.107248","url":null,"abstract":"<div><p>We measured the densities and viscosities of two ionic liquids, triethyl(methoxymethyl)phosphonium bis(trifluoromethanesulfonyl)amide ([P_222(1O1)][TFSA]) and triethyl(2-methoxyethyl)phosphonium bis(trifluoromethanesulfonyl)amide ([P_222(2O1)][TFSA]), at atmospheric pressure and 273.15–363.15 K. The high-pressure density at the pressures up to 50 MPa was also measured at 298.15–353.15 K. Meanwhile, CO₂ solubility in these phosphonium-based ionic liquids was determined using a magnetic suspension balance at 303.15–333.15 K and pressures up to 6 MPa. The experimental density and viscosity at atmospheric pressure were fitted using quadratic and Vogel-Fulcher-Tammann equations, respectively. The high-pressure density was fitted using the Tait equation and Sanchez-Lacombe equation of state. The properties of the two ether-functionalized ionic liquids were compared to those of triethylpentylphosphonium bis(trifluoromethanesulfonyl)amide [P₂₂₂₅][TFSA]. The density at atmospheric pressure increased in the order [P₂₂₂₅][TFSA] &lt; [P_222(2O1)][TFSA] &lt; [P_222(1O1)][TFSA]. The introduction of the ether group effectively reduced viscosity in the following order: [P_222(1O1)][TFSA] &lt; [P_222(2O1)][TFSA] &lt; [P₂₂₂₅][TFSA]. The CO₂ solubilities in [P_222(1O1)][TFSA] and [P_222(2O1)][TFSA] were slightly lower than those in [P₂₂₂₅][TFSA]. In contrast, the molality of CO₂ (<em>m</em>₁) increased in the order [P₂₂₂₅][TFSA] &lt; [P_222(2O1)][TFSA] &lt; [P_222(1O1)][TFSA]. Ether functionalized phosphonium-based cations are effective in enhancing the physical absorption of CO₂, particularly the molality of CO₂.</p></div>","PeriodicalId":54867,"journal":{"name":"Journal of Chemical Thermodynamics","volume":null,"pages":null},"PeriodicalIF":2.6,"publicationDate":"2024-01-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139082686","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Densities, viscosities, and refractive indices of binary mixtures of tri-n-butyl phosphate with propan-2-ol and butan-2-ol at 303.15, 308.15, 313.15, 318.15, and 323.15 K","authors":"Iqbal Hossen ,&nbsp;M. Mehedi Hasan Rocky ,&nbsp;M. Riyad ,&nbsp;M. Masum Billah ,&nbsp;Ismail M.M. Rahman ,&nbsp;Shamim Akhtar","doi":"10.1016/j.jct.2023.107247","DOIUrl":"10.1016/j.jct.2023.107247","url":null,"abstract":"<div><p>Densities, viscosities, and refractive indices of binary liquid mixtures of tri-<em>n</em>-butyl phosphate (TBP) with propan-2-ol and butan-2-ol at different temperatures between 303.15 and 323.15 K at an interval of 5 K and across the entire range of composition were measured. The data were used to calculate derived properties, such as excess molar volumes, excess thermal expansivities, deviations in viscosities, excess free energies of activation for viscous flow, and deviations in refractive index. The variation patterns of these properties concerning composition and temperature for the propan-2-ol + and butan-2-ol + TBP systems were discussed and attributed to probable intermolecular hydrogen bonding and geometric effects. Notably, the influence of hydrogen bonding was substantial, as evidenced by trends in excess molar volumes and deviations in viscosities. Concentration-dependent polynomial equations were used to fit the measured data of density, viscosity, and refractive index, while Redlich-Kister-type equations were applied for the excess properties. The densities and viscosities were correlated using the Jouyban-Acree model. The correlating abilities of various models, such as Grunberg-Nissan, Tamura-Kurata, Heric, Ausländer, McAllister-3, and McAllister-4 body models, were also evaluated using the viscosity data. Additionally, six new pairs of UNIFAC-VISCO group interaction parameters were computed to predict viscosities of TBP in systems involving alkanes, aromatics, and alcohols, extending the application range of the group contribution model.</p></div>","PeriodicalId":54867,"journal":{"name":"Journal of Chemical Thermodynamics","volume":null,"pages":null},"PeriodicalIF":2.6,"publicationDate":"2023-12-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S0021961423002446/pdfft?md5=df546a20289e9932ae9d718d8eac1fc8&pid=1-s2.0-S0021961423002446-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139068822","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"A new transient hot-wire thermal conductivity apparatus and measurements of helium at temperatures from 20 K to 300 K","authors":"Xiufang Zhao ,&nbsp;Xian Wang ,&nbsp;Xueqiang Dong ,&nbsp;Yunxiao Wang ,&nbsp;Yanxing Zhao ,&nbsp;Bowen Sheng ,&nbsp;Maoqiong Gong","doi":"10.1016/j.jct.2023.107233","DOIUrl":"10.1016/j.jct.2023.107233","url":null,"abstract":"<div><p>In this study, an apparatus based on the transient hot-wire method (THW) was designed to measure the thermal conductivity of cryogenic fluid within the temperature range of 20–300 K and the pressure range of 0–20 MPa, with a relative expanded uncertainty <em>U</em>_r(<em>λ</em>) of 0.0284 (<em>k</em> = 2, 95 %). The experimental data of methane, ethane, and carbon dioxide showed good consistency with the ECS model, validating the reliability of the apparatus. In addition to the linear temperature dependence of hot-wire resistance above 70 K, the nonlinear temperature dependence below 70 K is calibrated, and the feasibility of the THW method for measurements in the temperature range of 20–70 K is validated. Subsequently, the thermal conductivity data for helium are presented from 20 to 300 K. The temperature rises of hot-wire during the measurement agreed well with the simulation calculation results. Furthermore, a thermal conductivity model for helium gas up to 600 K was developed. The presented data in this work, as well as previously published data, demonstrated good agreement with the model calculation results, with an average absolute relative deviation (AARD) of 1.46 %.</p></div>","PeriodicalId":54867,"journal":{"name":"Journal of Chemical Thermodynamics","volume":null,"pages":null},"PeriodicalIF":2.6,"publicationDate":"2023-12-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S0021961423002306/pdfft?md5=d066245d6aa01356eaf6b76393088d0c&pid=1-s2.0-S0021961423002306-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139061995","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Dissolution behavior, thermodynamic analysis and molecular simulation of lithium bis(fluorosulfonyl)imide in organic solvent at 273.15 K to 313.15 K","authors":"Xin Fang,&nbsp;Bolun Mei,&nbsp;Xingchuan Yang,&nbsp;Yi Yu,&nbsp;Chunmei Cao,&nbsp;Li Xu,&nbsp;Guoji Liu","doi":"10.1016/j.jct.2023.107245","DOIUrl":"10.1016/j.jct.2023.107245","url":null,"abstract":"<div><p>The solubility of LiFSI in ethanol, n-propanol, isopropanol, n-butanol, methyl acetate, ethyl acetate, propyl acetate, butyl acetate, dimethyl carbonate, ethyl methyl carbonate, diethyl carbonate at 273.15 K to 313.15 K were determined. Elevated temperatures can actuate the continued mixing of LIFSI in the 11 fluids outlined above. In comparison, the addition of an alkyl group to the carbon chain of a structurally similar solvent molecule will result in a smaller solubility of LiFSI. Overall the molar solubility of LiFSI in esters are significantly higher than the other four alcohols. Besides, the corresponding theoretical results were mounted by fitting the classical equation. The deviation of the fitted values from the measured values showed that the Apelblat equation and Yaws model was more effectively in fitting the solubility of LiFSI. Then, The Δ_sol<em>H</em>^o, Δ_sol<em>G</em>^o, Δ_sol<em>S</em>^o of electrolyte solution were discussed by Van’t Hoff equation. Their fruits implied that the dissolution of LiFSI is found to be accompanied by heat absorption and entropy gain processes. Finally, the solvent molecular polarity index and solvation free energy were calculated by molecular visualization analysis and molecular dynamics simulation, and the correlation analysis with solubility order was carried out to illustrate the role of molecular features on the LiFSI solubility was explained. Electrostatic interactions and molecular polarity are the leading players in determining its solubility limit. These results will provide valuable reference for the purification of LiFSI and the development of new electrolyte solutions.</p></div>","PeriodicalId":54867,"journal":{"name":"Journal of Chemical Thermodynamics","volume":null,"pages":null},"PeriodicalIF":2.6,"publicationDate":"2023-12-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139037042","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"A new method to combine high-pressure vapor–liquid equilibrium and thermophysical property measurements for low-volatility liquids and a gas","authors":"Karim S. Al-Barghouti ,&nbsp;Hannes Schmidt ,&nbsp;Ethan Eichberger ,&nbsp;Mark B. Shiflett ,&nbsp;Aaron M. Scurto","doi":"10.1016/j.jct.2023.107246","DOIUrl":"10.1016/j.jct.2023.107246","url":null,"abstract":"<div><p>Vapor-liquid equilibria measurements involving liquids with low volatility, such as many types of lubricants, ionic liquids, and various solvents are essential for process research and development in a wide variety of fields. State–of–the–art methods to measure these phase equilibria, e.g. thermogravimetric analysis or equilibrium cells, generally cannot be combined with instruments measuring thermophysical properties, e.g. density, transport properties, spectroscopic properties, etc. A novel approach was developed to measure simultaneously vapor–liquid equilibrium and thermophysical properties involving a single gas dissolved in one or more low-volatility liquids. The method is based upon a mass balance measuring liquid phase density, total masses in the system, and volumes. The governing equations of the novel approach are derived, and a detailed uncertainty analysis is presented. As an example, the solubility, density, and viscosity are measured with the new apparatus for a system of a non-volatile ionic liquid solvent saturated with the compressed hydrofluorocarbon gas, pentafluoroethane (R-125), at 25 °C and 75 °C and pressures to ∼ 3.1 MPa. The solubility data are validated by comparison to previously published literature data using a high precision gravimetric microbalance. The combination of vapor–liquid equilibria and thermophysical properties in a single experiment can significantly accelerate scientific and engineering studies.</p></div>","PeriodicalId":54867,"journal":{"name":"Journal of Chemical Thermodynamics","volume":null,"pages":null},"PeriodicalIF":2.6,"publicationDate":"2023-12-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S0021961423002434/pdfft?md5=f91e282e847b28c6ed202d2c0d668e9d&pid=1-s2.0-S0021961423002434-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139034860","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}