Journal of Chemical & Engineering Data最新文献

{"title":"Enhancing the Kinetic Separation of Nitrogen and Methane on Alkaline Earth Metal-Modified Carbon Molecular Sieves","authors":"Fangli Jing*,&nbsp;Dehang Yang,&nbsp;Shiqi Zhou,&nbsp;Yuanyuan Zhang*,&nbsp;Huan Xiang and Shi-Zhong Luo,&nbsp;","doi":"10.1021/acs.jced.4c0054310.1021/acs.jced.4c00543","DOIUrl":"https://doi.org/10.1021/acs.jced.4c00543https://doi.org/10.1021/acs.jced.4c00543","url":null,"abstract":"<p >The commercial carbon molecular sieves (CMSs) were modified with alkaline earth metals (Mg, Ca, Sr, and Ba) by an incipient wetness impregnation method. The metal species were well dispersed on pristine CMSs and existed in the stable form of divalent cations. The modification showed greater influence on specific surface area rather than total pore volume and average diameter, which was mostly related to the location of metal species at the pore entrance, leading to the enhancement of diffusion resistance. The Ca-, Mg-, Sr-, and Ba-modified adsorbents weakened the adsorption of methane by more than 32% at 0.7 MPa without affecting the adsorption of nitrogen. These types of metals affected strongly the separation selectivity, tuning the methane selectivity between 3.7 and 5.5, and they also have significant influence on adsorption kinetics especially for methane diffusion. Compared to CMSs, the sample with Mg modification hardly affects the diffusion of nitrogen. The alkaline metal-modified adsorbents exhibited good stability, and the adsorption capacity can be recovered by thermal regeneration.</p>","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"70 3","pages":"1537–1549 1537–1549"},"PeriodicalIF":2.0,"publicationDate":"2025-02-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143600176","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":"High-Pressure Bubble- and Dew-Point Data for Systems Containing CO2 + (C8/C10 1-Alcohol with C12/C14/C16 Methyl Ester) Systems","authors":"Susanna H. Du Plessis,&nbsp;Ashmika Balaram and Cara E. Schwarz*,&nbsp;","doi":"10.1021/acs.jced.4c0070210.1021/acs.jced.4c00702","DOIUrl":"https://doi.org/10.1021/acs.jced.4c00702https://doi.org/10.1021/acs.jced.4c00702","url":null,"abstract":"<p >Six new high-pressure bubble- and dew-point data sets have been generated for ternary systems containing carbon dioxide (C₈ or C₁₀ 1-alcohols) and (C₁₂ or C₁₄ or C₁₆ methyl esters). These data were measured at a fixed reduced solute mass fraction of 0.5000 between a total solute mass fraction of 0.020 to 0.640 at temperatures between 308.15 and 358.15 K. The CO₂ + 1-octanol + methyl tetradecanoate/methyl hexadecanoate and CO₂ + 1-decanol + methyl hexadecanoate systems were shown to be cosolvent due to preferential interactions between like molecules. In comparison to the CO₂ + 1-alcohol + <i>n</i>-alkane ternary systems, the CO₂ + 1-alcohol + methyl ester ternary systems are consistently less cosolvent, indicating that cross-association potentially occurs between the 1-alcohol and methyl ester molecules, decreasing the solubility enhancement that is expected due to the disruption of the hydrogen bonding between neighboring 1-alcohols by the methyl ester. The RK-Aspen model is shown to provide an adequate description of the measured phase behavior data including only solute + solvent binary interaction parameters.</p>","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"70 3","pages":"1378–1391 1378–1391"},"PeriodicalIF":2.0,"publicationDate":"2025-02-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acs.jced.4c00702","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143600237","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":"Diffusion Coefficients in Electrolyte Mixtures─Influence of the Solute Characteristics","authors":"Chathura J. Kankanamge,&nbsp;Tobias Klein* and Andreas P. Fröba,&nbsp;","doi":"10.1021/acs.jced.4c0067110.1021/acs.jced.4c00671","DOIUrl":"https://doi.org/10.1021/acs.jced.4c00671https://doi.org/10.1021/acs.jced.4c00671","url":null,"abstract":"<p >Fick diffusion coefficients <i>D</i>₁₁ of binary electrolyte mixtures consisting of seven different solutes dissolved in either acetonitrile (ACN) or diethyl carbonate (DEC) are presented. The solutes were selected with respect to a systematic variation of their characteristics such as size, mass, polarity, and charge delocalization. <i>D</i>₁₁ was determined by dynamic light scattering (DLS) and molecular dynamics (MD) simulations at temperatures up to 398 K and at a solute amount fraction of 0.05. The results contribute to an extension of the existing database for <i>D</i>₁₁ in binary electrolyte mixtures and allow its investigation as a function of the solute characteristics. With the help of MD simulations, the coordination or solvation number, which represents the solvation of solute ions by solvent molecules present in the first solvation shell, could be accessed and used to investigate the influence of the fluid structure on <i>D</i>₁₁. Here, for ACN as a solvent, a larger <i>D</i>₁₁ for the solute [Na][NTf₂] in comparison to that for [Li][NTf₂] could be attributed to a less defined and more fragile solvation shell surrounding the larger [Na]⁺ cation.</p>","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"70 3","pages":"1300–1311 1300–1311"},"PeriodicalIF":2.0,"publicationDate":"2025-02-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143600240","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 Interaction and Hydration Properties of Aliphatic Biogenic Polyamines: Insights through Volumetric, Viscometric and Acoustic Investigations","authors":"Pranali Y. Umredkar,&nbsp;Vijay M. Tangde*,&nbsp;Niraj T. Khaty,&nbsp;Sneha T. Bankar and Sudhakar S. Dhondge,&nbsp;","doi":"10.1021/acs.jced.4c0069510.1021/acs.jced.4c00695","DOIUrl":"https://doi.org/10.1021/acs.jced.4c00695https://doi.org/10.1021/acs.jced.4c00695","url":null,"abstract":"<p >In context of understanding the precise biochemical and industrial mechanisms underlying the actions of the studied aliphatic biogenic polyamines, namely, putrescine dihydrochloride, cadaverine dihydrochloride, and spermine tetrahydrochloride, the present study systematically investigates the density, speed of sound, and dynamic viscosity data over a dilute concentration range of (0.02–0.2) mol·kg^–1, a temperature range of (288.15–313.15) K and an atmospheric pressure of 1.013 × 10⁵ Pa. The physiochemical properties of the aqueous polyamine solutions were assessed through volumetric and compressibility measurements along with viscous flow parameters. The density and speed of sound data were utilized to calculate apparent molal volume and isentropic compressibility, which were further extrapolated to infinite dilution to obtain the limiting values <i>V</i>_ϕ⁰ and <i>K</i>_<i>S</i>,ϕ⁰ and the corresponding slopes <i>S</i>_<i>v</i> and <i>S</i>_<i>k</i> respectively. Thermal expansion and hydration behavior were also examined by computing the limiting apparent molal expansibility (<i>E</i>ϕ⁰) and hydration number (<i>n</i>_H). The identification of Hepler’s constant (∂²<i>V</i>_ϕ⁰/<i>∂T</i>²), <i>B</i>-coefficient, and d<i>B</i>/d<i>T</i> values highlight the structure-breaking and hydrophilic nature of the studied polyamines. The results, however, indicate that the observed hydration phenomenon cannot be attributed solely to their total charge or the electrostatic forces; hydrophobic hydration of the aliphatic chain segments also significantly contributes to the underlying mechanisms influencing their physiochemical behavior and molecular interactions with the water structure.</p>","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"70 3","pages":"1312–1324 1312–1324"},"PeriodicalIF":2.0,"publicationDate":"2025-02-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143600236","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":"Correlation Models of Three Machine Learning Types for Carbon Dioxide/Toluene and Carbon Dioxide/Methanol Binary Systems","authors":"Hiroaki Matsukawa,&nbsp;Takaya Imagaki,&nbsp;Tomoya Tsuji and Katsuto Otake*,&nbsp;","doi":"10.1021/acs.jced.4c0065210.1021/acs.jced.4c00652","DOIUrl":"https://doi.org/10.1021/acs.jced.4c00652https://doi.org/10.1021/acs.jced.4c00652","url":null,"abstract":"<p >Existing density correlation models for CO₂/organic solvent homogeneous mixture fluids face limitations in temperature and composition applicability. This study applies three machine learning methods─support vector machine regression, artificial neural networks (ANNs), and genetic programming─to develop a density correlation model effective across wide ranges of composition, pressure, and temperature. Training data were gathered by measuring the densities of CO₂/toluene (Tol) and CO₂/methanol (MeOH) binary systems using a high-pressure oscillating density meter. The measurements were conducted at a temperature range of 313–353 K, a CO₂ mole-fraction range of 0–80 mol %, and at pressures up to 20 MPa. Initially, CO₂/Tol density data were used to optimize each machine learning model’s hyperparameters. These optimized parameters enabled predictions, allowing comparison of the accuracy and interpolation performance of each method. Results showed that an ANN model, using a softsign transfer function and six neurons in the hidden layer, provided optimal accuracy and predictive range. The root-mean-square errors at this time were 4.26 and 4.71 kg m^–3 for training and validation, respectively. Machine learning with CO₂/MeOH data similarly produced reliable density predictions across broad conditions, expanding the model’s practical use in various systems.</p>","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"70 3","pages":"1277–1290 1277–1290"},"PeriodicalIF":2.0,"publicationDate":"2025-02-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acs.jced.4c00652","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143600238","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":"Insight into the Dissolution Behavior of Benzimidazole in 19 Monosolvents: Solubility, Characterization, Determination, Analysis, and Model Correlation","authors":"Min Ding,&nbsp;Long Zhao,&nbsp;Xin Xing,&nbsp;Junjie Li,&nbsp;Yusheng Xiao,&nbsp;Peng Wang* and Bingbing Li*,&nbsp;","doi":"10.1021/acs.jced.4c0045010.1021/acs.jced.4c00450","DOIUrl":"https://doi.org/10.1021/acs.jced.4c00450https://doi.org/10.1021/acs.jced.4c00450","url":null,"abstract":"<p >Benzimidazole has many biological activities and is widely used in the pharmaceutical and chemical industries. Under the conditions of <i>P</i> = 101.2 kPa and <i>T</i> = 273.15–323.15 K, the solubility of benzimidazole in 19 monosolvents was determined using the static gravimetric method. The solubility was positively correlated with temperature and varied among solvents, with <i>n</i>-pentanol having the highest value. Four models (modified Apelblat, NRTL, UNIQUAC, and Margules) were used to correlate the solubility data, with the modified Apelblat model having the best fitting effect. Then, the thermodynamic properties of the mixing process were estimated by the NRTL model. In addition, the internal interactions of benzimidazole were analyzed using molecular electrostatic potentials (MEPs) and Hirshfeld surface (HS), revealing a strong solvent-benzimidazole hydrogen-bonding tendency. Furthermore, Hansen solubility parameters (HSPs), interaction region indicator (IRI), and interaction energy were used to evaluate benzimidazole’s solubility in 19 monosolvents. Results show that the main factors influencing the solubility behavior include solvent polarity (<i>E</i>_T(30)) and HSPs. These experimental results can be used for the purification, crystallization, and industrial applications of benzimidazole as well as similar substances.</p>","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"70 3","pages":"1426–1448 1426–1448"},"PeriodicalIF":2.0,"publicationDate":"2025-02-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143600408","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":"Physicochemical Properties and Molecular Interactions of Long-Chain 1-Alkanols and N-Dodecyl-2-pyrrolidone: Density, Viscosity, Thermodynamics, Spectroscopy, and Theoretical Calculations","authors":"Shengchao Xu,&nbsp;Wanting Ma,&nbsp;Qifeng Wei* and Xiulian Ren*,&nbsp;","doi":"10.1021/acs.jced.4c0063510.1021/acs.jced.4c00635","DOIUrl":"https://doi.org/10.1021/acs.jced.4c00635https://doi.org/10.1021/acs.jced.4c00635","url":null,"abstract":"<p >Long-chain 1-alkanols and <i>N</i>-dodecyl-2-pyrrolidone (NDP) exhibit significant potential in the field of solvent extraction. Investigating their physicochemical properties is valuable for understanding mass transfer, heat transfer, and the fluid transport process. In this study, we investigated the effect of the alkyl chain length of 1-alkanols (C4/C6/C8/C10) on NDP organic liquid mixtures. The densities and viscosities were measured at temperatures ranging from 303.15 to 323.15 K and atmospheric pressure. Excess properties, including excess molar volume (<i>V</i>_m^E), viscosity deviation (Δη), and the excess Gibbs free energy of activation of viscous flow (Δ<i>G</i>^*E), were calculated and correlated by Redlich–Kister equation to identify the differences between real and ideal solutions. It was found that the steric hindrance increased with the alkyl chain length increasing from C4 to C10 for 1-alkanols, leading to weaker molecular interactions in the mixtures. Furthermore, the Fourier transform infrared spectroscopy (FT-IR) and UV–vis spectra confirmed the presence of intermolecular hydrogen bond interactions between the −OH group of 1-alkanols and the –C═O group of NDP. Finally, the conductor-like screening model for realistic solvation (COSMO-RS) and Gaussian spectra further proved the hydrogen bond interactions. Overall, this study reported a range of physicochemical properties from both experimental and theoretical perspectives, which can be used to guide industrial production.</p>","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"70 3","pages":"1239–1249 1239–1249"},"PeriodicalIF":2.0,"publicationDate":"2025-02-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143600430","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":"Insights into Molecular Interactions in Binary and Ternary Mixtures of Propan-1-ol, Pyridine, and Benzene: An Experimental and Modeling Approach","authors":"Arbër Musliu,&nbsp;Kaltrinë Krasniqi,&nbsp;Tahir Arbneshi,&nbsp;Ariel Hernández,&nbsp;Naim Syla and Fisnik Aliaj*,&nbsp;","doi":"10.1021/acs.jced.4c0067810.1021/acs.jced.4c00678","DOIUrl":"https://doi.org/10.1021/acs.jced.4c00678https://doi.org/10.1021/acs.jced.4c00678","url":null,"abstract":"<p >Experimental densities and sound speeds at temperatures (293.15, 298.15, 303.15, 313.15, and 323.15 K) and refractive indices at 298.15 K under ambient pressure are reported for the first time for the ternary system {propan-1-ol + pyridine + benzene}, covering the full composition range. Corresponding binary subsystems were also investigated. The excess molar volume, excess isentropic compressibility, and excess refractive index, derived from experimental data, were correlated by using the Redlich−Kister and Cibulka equations for binary and ternary systems, respectively. The composition and temperature dependence of these properties provided insights into molecular interactions and structural effects within the mixtures. The perturbed chain statistical associating fluid theory equation of state modeled the densities of binary and ternary mixtures using a predictive approach. Schaaff’s collision factor theory and Nomoto’s relation modeled sound speeds, while Lorentz−Lorenz, Gladstone−Dale, Laplace, and Eykman mixing rules predicted refractive indices. The Jouyban−Acree model represents the composition and temperature dependence of the thermophysical properties. Ternary excess properties were compared with values predicted by binary contribution symmetric (Kohler and Muggianu) and asymmetric (Hillert and Toop) geometric models. Model accuracy was evaluated using statistical indicators, highlighting the suitability of theoretical and empirical approaches for describing the thermophysical properties in these mixtures.</p>","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"70 2","pages":"934–952 934–952"},"PeriodicalIF":2.0,"publicationDate":"2025-02-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143397346","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 Determination and Thermodynamic Analysis of 2,4-Dichlorobenzoic Acid in 10 Pure Solvents and Three Binary Solvents at 273.15–318.15 K","authors":"Jiyuan Yang,&nbsp;Chao Zang,&nbsp;Huijin Xu,&nbsp;Wenge Yang* and Yonghong Hu*,&nbsp;","doi":"10.1021/acs.jced.4c0059710.1021/acs.jced.4c00597","DOIUrl":"https://doi.org/10.1021/acs.jced.4c00597https://doi.org/10.1021/acs.jced.4c00597","url":null,"abstract":"<p >2,4-Dichlorobenzoic acid (2,4-DCBA) plays a pivotal role in the synthesis of drugs and materials. Its solubility was meticulously determined using a static equilibrium method in conjunction with HPLC, across 10 individual solvents and three solvent mixtures. It can be found that 2,4-DCBA exhibited high solubility in alcohol solvents. Notably, in the acetone–acetonitrile system, solubility rose markedly with an increase in the positive solvent’s fraction. In the methanol, ethanol, and acetonitrile mixtures, the solubility of 2,4-DCBA peaked when the positive solvent’s molar fraction reached 0.8, suggesting that binary solvents can outperform single solvents in terms of dissolution. XRD and TG-DSC confirmed that 2,4-DCBA did not decompose, and its crystal structure did not change significantly during the experiment. The improved Apelblat model and λ<i>h</i> model were used to fit and analyze the solubility data in a single pure solvent, and the CNIBS/R-K model, Jouyban–Acree model, and Sun model were used to process the solubility data in a binary solvent system. The reliability of the fitting results was confirmed by calculating the RAD and RMSD values of the thermodynamic models. Ultimately, the research utilized the KAT-LSER model to examine the impact of solvent characteristics on the solubility of 2,4-DCBA in individual solvents.</p>","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"70 3","pages":"1479–1489 1479–1489"},"PeriodicalIF":2.0,"publicationDate":"2025-02-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143600403","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":"Equilibrium Solubility of Loxoprofen in 14 Monosolvents: Determination, Correlation, and Hansen Solubility Parameter","authors":"Yanmin Shen,&nbsp;Shuting Pan,&nbsp;Yuqi Gao,&nbsp;Jing Wang,&nbsp;Ruyue He,&nbsp;Wanying Wu,&nbsp;Guanghui Wu,&nbsp;Jinbing Zhang,&nbsp;Caihua Yu,&nbsp;Yuxin Wang,&nbsp;Han Wang* and Wenju Liu*,&nbsp;","doi":"10.1021/acs.jced.4c0056710.1021/acs.jced.4c00567","DOIUrl":"https://doi.org/10.1021/acs.jced.4c00567https://doi.org/10.1021/acs.jced.4c00567","url":null,"abstract":"<p >The mole fraction solubility of loxoprofen was investigated by the gravimetric static method in 14 monosolvents of methanol, ethanol, n-propanol, iso-propanol, methyl acetate, ethyl acetate, n-propyl acetate, iso-propyl acetate, iso-amyl acetate, iso-butyl acetate, butyl acetate, ethyl orthosilicate, acetonitrile, and 1,4-dioxane in the temperature range of 283.15–328.15 K under 0.1 MPa. Experiment results demonstrated that loxoprofen solubility increased positively with increasing temperature. Among 14 monosolvents, the mole fraction solubility of loxoprofen at 298.15 K followed this order: 1,4-dioxane (0.2143) &gt; methanol (0.1185) &gt; iso-propanol (0.09662) ≈ ethanol (0.09431) &gt; n-propanol (0.09045) &gt; methyl acetate (0.08949) &gt; ethyl acetate (0.08475) &gt; n-propyl acetate (0.06314) &gt; iso-propyl acetate (0.0560) &gt; butyl acetate (0.05270) &gt; iso-butyl acetate (0.0451) ≈ iso-amyl acetate (0.04484) &gt; acetonitrile (0.04193) &gt; ethyl orthosilicate (0.03648). The four usually thermodynamic models including the modified Apelblat model, the Yaws model, the Van’t Hoff model, and the λh model were applied to correlate solubility data, and the Yaws model obtained a relatively accurate correlation result by values of RAD and RMSD. Hansen solubility parameters of solvents were quoted to explain the dissolving behavior of loxoprofen in 14 monosolvents.</p>","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"70 3","pages":"1469–1478 1469–1478"},"PeriodicalIF":2.0,"publicationDate":"2025-02-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143600405","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}