{"title":"从密度、粘度和 CPA 建模了解乳酸甲酯和 C4-C7 烷醇的相互作用","authors":"Mohammad Almasi","doi":"10.1007/s10953-024-01389-1","DOIUrl":null,"url":null,"abstract":"<div><p>The investigation carried out in this study focused on exploring the hydrogen bonding structure of liquid solutions of methyl lactate and 1-alkanols include 1-butanol, 1-pentanol, 1-hexanol, and 1-heptanol. To analyze the interactions between the molecules, the researcher utilized the cubic-plus-association (CPA) model, which takes into account both the physical and association interactions. The maximum deviation observed in the density of the liquid solutions of methyl lactate with 1-heptanol was 0.28%, indicating the effectiveness of the CPA model in accurately modeling the density. Additionally, the researchers calculated the excess molar volumes and deviation in viscosity for the studied liquid mixtures. The analysis of these measurements revealed that the solutions of methyl lactate with 1-alkanols exhibited positive excess molar volumes across the entire concentration range. On the other hand, negative viscosity deviations were observed for the mentioned alkanols. These findings suggest that there are weak intermolecular associations within the liquid solutions, with weaker bond strength observed in higher alkanols.</p></div>","PeriodicalId":1,"journal":{"name":"Accounts of Chemical Research","volume":null,"pages":null},"PeriodicalIF":16.4000,"publicationDate":"2024-05-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s10953-024-01389-1.pdf","citationCount":"0","resultStr":"{\"title\":\"Insights into the Methyl Lactate and C4–C7 Alkanol Interactions from Densities, Viscosities, and CPA Modeling\",\"authors\":\"Mohammad Almasi\",\"doi\":\"10.1007/s10953-024-01389-1\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>The investigation carried out in this study focused on exploring the hydrogen bonding structure of liquid solutions of methyl lactate and 1-alkanols include 1-butanol, 1-pentanol, 1-hexanol, and 1-heptanol. To analyze the interactions between the molecules, the researcher utilized the cubic-plus-association (CPA) model, which takes into account both the physical and association interactions. The maximum deviation observed in the density of the liquid solutions of methyl lactate with 1-heptanol was 0.28%, indicating the effectiveness of the CPA model in accurately modeling the density. Additionally, the researchers calculated the excess molar volumes and deviation in viscosity for the studied liquid mixtures. The analysis of these measurements revealed that the solutions of methyl lactate with 1-alkanols exhibited positive excess molar volumes across the entire concentration range. On the other hand, negative viscosity deviations were observed for the mentioned alkanols. These findings suggest that there are weak intermolecular associations within the liquid solutions, with weaker bond strength observed in higher alkanols.</p></div>\",\"PeriodicalId\":1,\"journal\":{\"name\":\"Accounts of Chemical Research\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":16.4000,\"publicationDate\":\"2024-05-23\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"https://link.springer.com/content/pdf/10.1007/s10953-024-01389-1.pdf\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Accounts of Chemical Research\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://link.springer.com/article/10.1007/s10953-024-01389-1\",\"RegionNum\":1,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q1\",\"JCRName\":\"CHEMISTRY, MULTIDISCIPLINARY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Accounts of Chemical Research","FirstCategoryId":"92","ListUrlMain":"https://link.springer.com/article/10.1007/s10953-024-01389-1","RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}
Insights into the Methyl Lactate and C4–C7 Alkanol Interactions from Densities, Viscosities, and CPA Modeling
The investigation carried out in this study focused on exploring the hydrogen bonding structure of liquid solutions of methyl lactate and 1-alkanols include 1-butanol, 1-pentanol, 1-hexanol, and 1-heptanol. To analyze the interactions between the molecules, the researcher utilized the cubic-plus-association (CPA) model, which takes into account both the physical and association interactions. The maximum deviation observed in the density of the liquid solutions of methyl lactate with 1-heptanol was 0.28%, indicating the effectiveness of the CPA model in accurately modeling the density. Additionally, the researchers calculated the excess molar volumes and deviation in viscosity for the studied liquid mixtures. The analysis of these measurements revealed that the solutions of methyl lactate with 1-alkanols exhibited positive excess molar volumes across the entire concentration range. On the other hand, negative viscosity deviations were observed for the mentioned alkanols. These findings suggest that there are weak intermolecular associations within the liquid solutions, with weaker bond strength observed in higher alkanols.
期刊介绍:
Accounts of Chemical Research presents short, concise and critical articles offering easy-to-read overviews of basic research and applications in all areas of chemistry and biochemistry. These short reviews focus on research from the author’s own laboratory and are designed to teach the reader about a research project. In addition, Accounts of Chemical Research publishes commentaries that give an informed opinion on a current research problem. Special Issues online are devoted to a single topic of unusual activity and significance.
Accounts of Chemical Research replaces the traditional article abstract with an article "Conspectus." These entries synopsize the research affording the reader a closer look at the content and significance of an article. Through this provision of a more detailed description of the article contents, the Conspectus enhances the article's discoverability by search engines and the exposure for the research.