Vanita N. Kasar*, Jyoti J. Pekhale, Asha D. Pawar and Meenakshi V. Rathi*,
{"title":"山梨酸钾-葡萄糖水溶液体系的球圈重叠模型和水化动力学:体积和声学视角","authors":"Vanita N. Kasar*, Jyoti J. Pekhale, Asha D. Pawar and Meenakshi V. Rathi*, ","doi":"10.1021/acs.jced.5c00106","DOIUrl":null,"url":null,"abstract":"<p >Understanding solute–solvent interactions in multicomponent aqueous systems is crucial for applications in food preservation, pharmaceuticals, and biochemical formulations. This study investigates the hydration dynamics and molecular interactions in aqueous potassium sorbate–glucose systems using density and acoustic measurements as functions of temperature and ambient pressure. Several thermodynamic and acoustic parameters have been derived from experimentally measured density and sound velocity, including the apparent molar volume (<i>V</i><sub>2,ϕ</sub>), apparent molar isentropic compressibility (<i>K</i>s<sub>2,ϕ</sub>); limiting apparent molar volume <i></i><math><mo>(</mo><msubsup><mrow><mi>V</mi></mrow><mrow><mrow><mn>2</mn></mrow><mrow><mo>,</mo></mrow><mrow><mi>ϕ</mi></mrow></mrow><mrow><mo>∞</mo></mrow></msubsup><mo>)</mo></math> and limiting apparent molar isentropic compression <i></i><math><mo>(</mo><mi>K</mi><msubsup><mrow><mi>s</mi></mrow><mrow><mrow><mn>2</mn></mrow><mrow><mo>,</mo></mrow><mrow><mi>ϕ</mi></mrow></mrow><mrow><mo>∞</mo></mrow></msubsup><mo>)</mo></math>. Additionally, limiting apparent molar volume of transfer <i></i><math><mrow><mo>(</mo><msup><mrow><mi>Δ</mi></mrow><mrow><mrow><mi>tr</mi></mrow></mrow></msup><msubsup><mrow><mi>V</mi></mrow><mrow><mrow><mn>2</mn></mrow><mrow><mo>,</mo></mrow><mrow><mi>ϕ</mi></mrow></mrow><mrow><mo>∞</mo></mrow></msubsup><mo>)</mo></mrow><mo>)</mo></math> and isentropic compression of transfer <i></i><math><mo>(</mo><msup><mrow><mi>Δ</mi></mrow><mrow><mrow><mi>tr</mi></mrow></mrow></msup><mi>K</mi><msubsup><mrow><mi>s</mi></mrow><mrow><mrow><mn>2</mn></mrow><mrow><mo>,</mo></mrow><mrow><mi>ϕ</mi></mrow></mrow><mrow><mo>∞</mo></mrow></msubsup><mo>)</mo></math>, were calculated. Further derived properties include partial molar expansibility <i></i><math><mo>(</mo><msubsup><mrow><mi>E</mi></mrow><mrow><mi>ϕ</mi></mrow><mrow><mn>0</mn></mrow></msubsup><mo>)</mo></math>, its temperature derivative <i></i><math><mrow><mo>(</mo><mo>∂</mo><msubsup><mrow><mi>E</mi></mrow><mrow><mi>ϕ</mi></mrow><mrow><mn>0</mn></mrow></msubsup><mo>/</mo><mo>∂</mo><mi>T</mi><mo>)</mo></mrow><mi>p</mi></math>, and interaction coefficients for pairs and (<i>V</i><sub>AB</sub>, <i>K</i><sub>AB</sub>, <i>V</i><sub>ABB</sub>, <i>K</i><sub>ABB</sub>), as well as hydration number (<i>n</i><sub>H</sub>) and some empirical parameters. The cosphere overlap model was applied to explain the values of <i></i><math><mrow><mo>(</mo><msup><mrow><mi>Δ</mi></mrow><mrow><mrow><mi>tr</mi></mrow></mrow></msup><msubsup><mrow><mi>V</mi></mrow><mrow><mrow><mn>2</mn></mrow><mrow><mo>,</mo></mrow><mrow><mi>ϕ</mi></mrow></mrow><mrow><mo>∞</mo></mrow></msubsup></mrow><mo>)</mo></math> and <i></i><math><mo>(</mo><msup><mrow><mi>Δ</mi></mrow><mrow><mrow><mi>tr</mi></mrow></mrow></msup><mi>K</mi><msubsup><mrow><mi>s</mi></mrow><mrow><mrow><mn>2</mn></mrow><mrow><mo>,</mo></mrow><mrow><mi>ϕ</mi></mrow></mrow><mrow><mo>∞</mo></mrow></msubsup><mo>)</mo></math>. Positive values of <i></i><math><mrow><mo>(</mo><mo>∂</mo><msubsup><mrow><mi>E</mi></mrow><mrow><mi>ϕ</mi></mrow><mrow><mn>0</mn></mrow></msubsup><mo>/</mo><mo>∂</mo><mi>T</mi><mo>)</mo></mrow><mi>p</mi></math> indicate that potassium sorbate acts as a structure-maker in aqueous glucose solutions. The partial molar properties further suggest hydrogen bond formation in the system. Collectively, these properties indicate strong solute–solvent interactions in the examined ternary system across the studied temperature and composition ranges.</p>","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"70 8","pages":"3007–3023"},"PeriodicalIF":2.1000,"publicationDate":"2025-07-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Cosphere Overlap Model and Hydration Dynamics in Aqueous Potassium Sorbate–Glucose Systems: A Volumetric and Acoustic Perspective\",\"authors\":\"Vanita N. Kasar*, Jyoti J. Pekhale, Asha D. Pawar and Meenakshi V. Rathi*, \",\"doi\":\"10.1021/acs.jced.5c00106\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p >Understanding solute–solvent interactions in multicomponent aqueous systems is crucial for applications in food preservation, pharmaceuticals, and biochemical formulations. This study investigates the hydration dynamics and molecular interactions in aqueous potassium sorbate–glucose systems using density and acoustic measurements as functions of temperature and ambient pressure. Several thermodynamic and acoustic parameters have been derived from experimentally measured density and sound velocity, including the apparent molar volume (<i>V</i><sub>2,ϕ</sub>), apparent molar isentropic compressibility (<i>K</i>s<sub>2,ϕ</sub>); limiting apparent molar volume <i></i><math><mo>(</mo><msubsup><mrow><mi>V</mi></mrow><mrow><mrow><mn>2</mn></mrow><mrow><mo>,</mo></mrow><mrow><mi>ϕ</mi></mrow></mrow><mrow><mo>∞</mo></mrow></msubsup><mo>)</mo></math> and limiting apparent molar isentropic compression <i></i><math><mo>(</mo><mi>K</mi><msubsup><mrow><mi>s</mi></mrow><mrow><mrow><mn>2</mn></mrow><mrow><mo>,</mo></mrow><mrow><mi>ϕ</mi></mrow></mrow><mrow><mo>∞</mo></mrow></msubsup><mo>)</mo></math>. Additionally, limiting apparent molar volume of transfer <i></i><math><mrow><mo>(</mo><msup><mrow><mi>Δ</mi></mrow><mrow><mrow><mi>tr</mi></mrow></mrow></msup><msubsup><mrow><mi>V</mi></mrow><mrow><mrow><mn>2</mn></mrow><mrow><mo>,</mo></mrow><mrow><mi>ϕ</mi></mrow></mrow><mrow><mo>∞</mo></mrow></msubsup><mo>)</mo></mrow><mo>)</mo></math> and isentropic compression of transfer <i></i><math><mo>(</mo><msup><mrow><mi>Δ</mi></mrow><mrow><mrow><mi>tr</mi></mrow></mrow></msup><mi>K</mi><msubsup><mrow><mi>s</mi></mrow><mrow><mrow><mn>2</mn></mrow><mrow><mo>,</mo></mrow><mrow><mi>ϕ</mi></mrow></mrow><mrow><mo>∞</mo></mrow></msubsup><mo>)</mo></math>, were calculated. Further derived properties include partial molar expansibility <i></i><math><mo>(</mo><msubsup><mrow><mi>E</mi></mrow><mrow><mi>ϕ</mi></mrow><mrow><mn>0</mn></mrow></msubsup><mo>)</mo></math>, its temperature derivative <i></i><math><mrow><mo>(</mo><mo>∂</mo><msubsup><mrow><mi>E</mi></mrow><mrow><mi>ϕ</mi></mrow><mrow><mn>0</mn></mrow></msubsup><mo>/</mo><mo>∂</mo><mi>T</mi><mo>)</mo></mrow><mi>p</mi></math>, and interaction coefficients for pairs and (<i>V</i><sub>AB</sub>, <i>K</i><sub>AB</sub>, <i>V</i><sub>ABB</sub>, <i>K</i><sub>ABB</sub>), as well as hydration number (<i>n</i><sub>H</sub>) and some empirical parameters. The cosphere overlap model was applied to explain the values of <i></i><math><mrow><mo>(</mo><msup><mrow><mi>Δ</mi></mrow><mrow><mrow><mi>tr</mi></mrow></mrow></msup><msubsup><mrow><mi>V</mi></mrow><mrow><mrow><mn>2</mn></mrow><mrow><mo>,</mo></mrow><mrow><mi>ϕ</mi></mrow></mrow><mrow><mo>∞</mo></mrow></msubsup></mrow><mo>)</mo></math> and <i></i><math><mo>(</mo><msup><mrow><mi>Δ</mi></mrow><mrow><mrow><mi>tr</mi></mrow></mrow></msup><mi>K</mi><msubsup><mrow><mi>s</mi></mrow><mrow><mrow><mn>2</mn></mrow><mrow><mo>,</mo></mrow><mrow><mi>ϕ</mi></mrow></mrow><mrow><mo>∞</mo></mrow></msubsup><mo>)</mo></math>. Positive values of <i></i><math><mrow><mo>(</mo><mo>∂</mo><msubsup><mrow><mi>E</mi></mrow><mrow><mi>ϕ</mi></mrow><mrow><mn>0</mn></mrow></msubsup><mo>/</mo><mo>∂</mo><mi>T</mi><mo>)</mo></mrow><mi>p</mi></math> indicate that potassium sorbate acts as a structure-maker in aqueous glucose solutions. The partial molar properties further suggest hydrogen bond formation in the system. Collectively, these properties indicate strong solute–solvent interactions in the examined ternary system across the studied temperature and composition ranges.</p>\",\"PeriodicalId\":42,\"journal\":{\"name\":\"Journal of Chemical & Engineering Data\",\"volume\":\"70 8\",\"pages\":\"3007–3023\"},\"PeriodicalIF\":2.1000,\"publicationDate\":\"2025-07-23\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Journal of Chemical & Engineering Data\",\"FirstCategoryId\":\"1\",\"ListUrlMain\":\"https://pubs.acs.org/doi/10.1021/acs.jced.5c00106\",\"RegionNum\":3,\"RegionCategory\":\"工程技术\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q3\",\"JCRName\":\"CHEMISTRY, MULTIDISCIPLINARY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Chemical & Engineering Data","FirstCategoryId":"1","ListUrlMain":"https://pubs.acs.org/doi/10.1021/acs.jced.5c00106","RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}
Cosphere Overlap Model and Hydration Dynamics in Aqueous Potassium Sorbate–Glucose Systems: A Volumetric and Acoustic Perspective
Understanding solute–solvent interactions in multicomponent aqueous systems is crucial for applications in food preservation, pharmaceuticals, and biochemical formulations. This study investigates the hydration dynamics and molecular interactions in aqueous potassium sorbate–glucose systems using density and acoustic measurements as functions of temperature and ambient pressure. Several thermodynamic and acoustic parameters have been derived from experimentally measured density and sound velocity, including the apparent molar volume (V2,ϕ), apparent molar isentropic compressibility (Ks2,ϕ); limiting apparent molar volume and limiting apparent molar isentropic compression . Additionally, limiting apparent molar volume of transfer and isentropic compression of transfer , were calculated. Further derived properties include partial molar expansibility , its temperature derivative , and interaction coefficients for pairs and (VAB, KAB, VABB, KABB), as well as hydration number (nH) and some empirical parameters. The cosphere overlap model was applied to explain the values of and . Positive values of indicate that potassium sorbate acts as a structure-maker in aqueous glucose solutions. The partial molar properties further suggest hydrogen bond formation in the system. Collectively, these properties indicate strong solute–solvent interactions in the examined ternary system across the studied temperature and composition ranges.
期刊介绍:
The Journal of Chemical & Engineering Data is a monthly journal devoted to the publication of data obtained from both experiment and computation, which are viewed as complementary. It is the only American Chemical Society journal primarily concerned with articles containing data on the phase behavior and the physical, thermodynamic, and transport properties of well-defined materials, including complex mixtures of known compositions. While environmental and biological samples are of interest, their compositions must be known and reproducible. As a result, adsorption on natural product materials does not generally fit within the scope of Journal of Chemical & Engineering Data.