{"title":"1,2 -乙二胺与1,4 -丁二醇二元液体混合物在不同温度下的体积和光谱性质","authors":"Pendam Prashanth Babu , Ganesh Babu Bathula , Bolloju Satheesh","doi":"10.1016/j.cdc.2023.101069","DOIUrl":null,"url":null,"abstract":"<div><p>The new experimental values of density (<em>ρ</em>) for 1,2-ethylenediamine (EDA), 1, 4-butanediol (BDO), and their binary mixtures were reported in the whole mole fraction of 1,2-ethylenediamine at 0.1 MPa pressure and a temperature from 293.15 K to 313.15 K. Using experimental results, molar volume <span><math><mrow><mo>(</mo><msub><mi>V</mi><mi>m</mi></msub><mo>)</mo></mrow></math></span>, excess molar volume <span><math><mrow><mo>(</mo><msubsup><mi>V</mi><mi>m</mi><mi>E</mi></msubsup><mo>)</mo></mrow></math></span> was calculated. The observed <span><math><msubsup><mi>V</mi><mi>m</mi><mi>E</mi></msubsup></math></span> values were interrelated to Redlich-Kister (R-K) polynomial equation. Further, utilizing Prigogine-Flory-Patterson theory, the <span><math><msubsup><mi>V</mi><mi>m</mi><mi>E</mi></msubsup></math></span> was theoretically analyzed. Furthermore, apparent molar volumes <span><math><mrow><mo>(</mo><msub><mi>V</mi><mrow><mi>m</mi><mo>,</mo><mi>ϕ</mi><mo>,</mo><mn>1</mn></mrow></msub><mo>)</mo></mrow></math></span> and <span><math><mrow><mo>(</mo><msub><mi>V</mi><mrow><mi>m</mi><mo>,</mo><mi>ϕ</mi><mo>,</mo><mn>2</mn></mrow></msub><mo>)</mo></mrow></math></span>, partial molar volumes <span><math><mrow><mo>(</mo><mrow><msub><mover><mi>V</mi><mo>¯</mo></mover><mrow><mi>m</mi><mo>,</mo><mn>1</mn></mrow></msub><mi>a</mi><mi>n</mi><mi>d</mi><msub><mover><mi>V</mi><mo>¯</mo></mover><mrow><mi>m</mi><mo>,</mo><mn>2</mn></mrow></msub></mrow><mo>)</mo></mrow></math></span>, and excess partial molar volumes <span><math><mrow><mo>(</mo><mrow><msubsup><mover><mi>V</mi><mo>¯</mo></mover><mrow><mi>m</mi><mo>,</mo><mn>1</mn></mrow><mi>E</mi></msubsup><mo>,</mo><mi>a</mi><mi>n</mi><mi>d</mi><msubsup><mover><mi>V</mi><mo>¯</mo></mover><mrow><mi>m</mi><mo>,</mo><mn>2</mn></mrow><mi>E</mi></msubsup></mrow><mo>)</mo></mrow></math></span> over the whole mole fraction range, also, partial molar volumes <span><math><mrow><mo>(</mo><mrow><msubsup><mover><mi>V</mi><mo>¯</mo></mover><mrow><mi>m</mi><mo>,</mo><mn>1</mn></mrow><mi>o</mi></msubsup><mo>,</mo><mi>a</mi><mi>n</mi><mi>d</mi><mspace></mspace><msubsup><mover><mi>V</mi><mo>¯</mo></mover><mrow><mi>m</mi><mo>,</mo><mn>2</mn></mrow><mi>o</mi></msubsup></mrow><mo>)</mo></mrow></math></span> and excess partial molar volumes <span><math><mrow><mo>(</mo><mrow><msubsup><mover><mi>V</mi><mo>¯</mo></mover><mrow><mi>m</mi><mo>,</mo><mn>1</mn></mrow><mrow><mi>o</mi><mi>E</mi></mrow></msubsup><mo>,</mo><mi>a</mi><mi>n</mi><mi>d</mi><mspace></mspace><msubsup><mover><mi>V</mi><mo>¯</mo></mover><mrow><mi>m</mi><mo>,</mo><mn>2</mn></mrow><mrow><mi>o</mi><mi>E</mi></mrow></msubsup></mrow><mo>)</mo></mrow></math></span> of the 1,2-ethylenediamine and 1,4-butanediol at infinite dilution were computed. Based on the results, the hydrogen-bonding were determined. Additionally, using <sup>1</sup>H-NMR the creation of new H-bonding interaction between EDA and BDO molecules was confirmed.</p></div>","PeriodicalId":269,"journal":{"name":"Chemical Data Collections","volume":"47 ","pages":"Article 101069"},"PeriodicalIF":2.2180,"publicationDate":"2023-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"1","resultStr":"{\"title\":\"Volumetric and spectroscopic properties of binary liquid mixtures of 1, 2-ethylenediamine with 1, 4-butanediol at varying temperature\",\"authors\":\"Pendam Prashanth Babu , Ganesh Babu Bathula , Bolloju Satheesh\",\"doi\":\"10.1016/j.cdc.2023.101069\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>The new experimental values of density (<em>ρ</em>) for 1,2-ethylenediamine (EDA), 1, 4-butanediol (BDO), and their binary mixtures were reported in the whole mole fraction of 1,2-ethylenediamine at 0.1 MPa pressure and a temperature from 293.15 K to 313.15 K. Using experimental results, molar volume <span><math><mrow><mo>(</mo><msub><mi>V</mi><mi>m</mi></msub><mo>)</mo></mrow></math></span>, excess molar volume <span><math><mrow><mo>(</mo><msubsup><mi>V</mi><mi>m</mi><mi>E</mi></msubsup><mo>)</mo></mrow></math></span> was calculated. The observed <span><math><msubsup><mi>V</mi><mi>m</mi><mi>E</mi></msubsup></math></span> values were interrelated to Redlich-Kister (R-K) polynomial equation. Further, utilizing Prigogine-Flory-Patterson theory, the <span><math><msubsup><mi>V</mi><mi>m</mi><mi>E</mi></msubsup></math></span> was theoretically analyzed. Furthermore, apparent molar volumes <span><math><mrow><mo>(</mo><msub><mi>V</mi><mrow><mi>m</mi><mo>,</mo><mi>ϕ</mi><mo>,</mo><mn>1</mn></mrow></msub><mo>)</mo></mrow></math></span> and <span><math><mrow><mo>(</mo><msub><mi>V</mi><mrow><mi>m</mi><mo>,</mo><mi>ϕ</mi><mo>,</mo><mn>2</mn></mrow></msub><mo>)</mo></mrow></math></span>, partial molar volumes <span><math><mrow><mo>(</mo><mrow><msub><mover><mi>V</mi><mo>¯</mo></mover><mrow><mi>m</mi><mo>,</mo><mn>1</mn></mrow></msub><mi>a</mi><mi>n</mi><mi>d</mi><msub><mover><mi>V</mi><mo>¯</mo></mover><mrow><mi>m</mi><mo>,</mo><mn>2</mn></mrow></msub></mrow><mo>)</mo></mrow></math></span>, and excess partial molar volumes <span><math><mrow><mo>(</mo><mrow><msubsup><mover><mi>V</mi><mo>¯</mo></mover><mrow><mi>m</mi><mo>,</mo><mn>1</mn></mrow><mi>E</mi></msubsup><mo>,</mo><mi>a</mi><mi>n</mi><mi>d</mi><msubsup><mover><mi>V</mi><mo>¯</mo></mover><mrow><mi>m</mi><mo>,</mo><mn>2</mn></mrow><mi>E</mi></msubsup></mrow><mo>)</mo></mrow></math></span> over the whole mole fraction range, also, partial molar volumes <span><math><mrow><mo>(</mo><mrow><msubsup><mover><mi>V</mi><mo>¯</mo></mover><mrow><mi>m</mi><mo>,</mo><mn>1</mn></mrow><mi>o</mi></msubsup><mo>,</mo><mi>a</mi><mi>n</mi><mi>d</mi><mspace></mspace><msubsup><mover><mi>V</mi><mo>¯</mo></mover><mrow><mi>m</mi><mo>,</mo><mn>2</mn></mrow><mi>o</mi></msubsup></mrow><mo>)</mo></mrow></math></span> and excess partial molar volumes <span><math><mrow><mo>(</mo><mrow><msubsup><mover><mi>V</mi><mo>¯</mo></mover><mrow><mi>m</mi><mo>,</mo><mn>1</mn></mrow><mrow><mi>o</mi><mi>E</mi></mrow></msubsup><mo>,</mo><mi>a</mi><mi>n</mi><mi>d</mi><mspace></mspace><msubsup><mover><mi>V</mi><mo>¯</mo></mover><mrow><mi>m</mi><mo>,</mo><mn>2</mn></mrow><mrow><mi>o</mi><mi>E</mi></mrow></msubsup></mrow><mo>)</mo></mrow></math></span> of the 1,2-ethylenediamine and 1,4-butanediol at infinite dilution were computed. Based on the results, the hydrogen-bonding were determined. Additionally, using <sup>1</sup>H-NMR the creation of new H-bonding interaction between EDA and BDO molecules was confirmed.</p></div>\",\"PeriodicalId\":269,\"journal\":{\"name\":\"Chemical Data Collections\",\"volume\":\"47 \",\"pages\":\"Article 101069\"},\"PeriodicalIF\":2.2180,\"publicationDate\":\"2023-10-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"1\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Chemical Data Collections\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S2405830023000800\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"Chemistry\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Chemical Data Collections","FirstCategoryId":"1085","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S2405830023000800","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"Chemistry","Score":null,"Total":0}
Volumetric and spectroscopic properties of binary liquid mixtures of 1, 2-ethylenediamine with 1, 4-butanediol at varying temperature
The new experimental values of density (ρ) for 1,2-ethylenediamine (EDA), 1, 4-butanediol (BDO), and their binary mixtures were reported in the whole mole fraction of 1,2-ethylenediamine at 0.1 MPa pressure and a temperature from 293.15 K to 313.15 K. Using experimental results, molar volume , excess molar volume was calculated. The observed values were interrelated to Redlich-Kister (R-K) polynomial equation. Further, utilizing Prigogine-Flory-Patterson theory, the was theoretically analyzed. Furthermore, apparent molar volumes and , partial molar volumes , and excess partial molar volumes over the whole mole fraction range, also, partial molar volumes and excess partial molar volumes of the 1,2-ethylenediamine and 1,4-butanediol at infinite dilution were computed. Based on the results, the hydrogen-bonding were determined. Additionally, using 1H-NMR the creation of new H-bonding interaction between EDA and BDO molecules was confirmed.
期刊介绍:
Chemical Data Collections (CDC) provides a publication outlet for the increasing need to make research material and data easy to share and re-use. Publication of research data with CDC will allow scientists to: -Make their data easy to find and access -Benefit from the fast publication process -Contribute to proper data citation and attribution -Publish their intermediate and null/negative results -Receive recognition for the work that does not fit traditional article format. The research data will be published as ''data articles'' that support fast and easy submission and quick peer-review processes. Data articles introduced by CDC are short self-contained publications about research materials and data. They must provide the scientific context of the described work and contain the following elements: a title, list of authors (plus affiliations), abstract, keywords, graphical abstract, metadata table, main text and at least three references. The journal welcomes submissions focusing on (but not limited to) the following categories of research output: spectral data, syntheses, crystallographic data, computational simulations, molecular dynamics and models, physicochemical data, etc.