{"title":"qDOSY法测定混合物中共聚物和同属共聚物化学成分的理论和实验研究","authors":"Wolf Hiller*, and , Bastian Grabe, ","doi":"10.1021/acs.macromol.5c00382","DOIUrl":null,"url":null,"abstract":"<p >The new concept of quantitative diffusion ordered spectroscopy (qDOSY) will be introduced. This concept is theoretically based on equations derived for the determination of the chemical compositions of polymers within a mixture. It can be applied for mixtures of homopolymers, homopolymers and copolymers as well as mixtures of copolymers. In particular, it is very useful for the determination of chemical compositions of overlapping signals of monomer units in NMR spectra. Nonexponential Stejskal-Tanner equations allow for the determination of the molar contents of the different polymer components. The calculations of the initial integral intensities for the gradient amplitude at <i>g</i> = 0 T/m and the molar contents provide the theoretical basis for the determination of the chemical compositions of each polymer in the mixture as well as the individual compositions of copolymers. Many different mixtures of homo- and copolymers were prepared for experimental verification of the theoretical basis. Both the molar and weight percentages determined with qDOSY are in very good agreement with <sup>1</sup>H NMR measurements and weighed balanced data. The deviations are below 4% for mixtures of two polymers.</p>","PeriodicalId":51,"journal":{"name":"Macromolecules","volume":"58 15","pages":"7757–7765"},"PeriodicalIF":5.2000,"publicationDate":"2025-07-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Theoretical and Experimental Studies of qDOSY for the Determination of Chemical Compositions of Homo- and Copolymers in Mixtures\",\"authors\":\"Wolf Hiller*, and , Bastian Grabe, \",\"doi\":\"10.1021/acs.macromol.5c00382\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p >The new concept of quantitative diffusion ordered spectroscopy (qDOSY) will be introduced. This concept is theoretically based on equations derived for the determination of the chemical compositions of polymers within a mixture. It can be applied for mixtures of homopolymers, homopolymers and copolymers as well as mixtures of copolymers. In particular, it is very useful for the determination of chemical compositions of overlapping signals of monomer units in NMR spectra. Nonexponential Stejskal-Tanner equations allow for the determination of the molar contents of the different polymer components. The calculations of the initial integral intensities for the gradient amplitude at <i>g</i> = 0 T/m and the molar contents provide the theoretical basis for the determination of the chemical compositions of each polymer in the mixture as well as the individual compositions of copolymers. Many different mixtures of homo- and copolymers were prepared for experimental verification of the theoretical basis. Both the molar and weight percentages determined with qDOSY are in very good agreement with <sup>1</sup>H NMR measurements and weighed balanced data. The deviations are below 4% for mixtures of two polymers.</p>\",\"PeriodicalId\":51,\"journal\":{\"name\":\"Macromolecules\",\"volume\":\"58 15\",\"pages\":\"7757–7765\"},\"PeriodicalIF\":5.2000,\"publicationDate\":\"2025-07-15\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Macromolecules\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://pubs.acs.org/doi/10.1021/acs.macromol.5c00382\",\"RegionNum\":1,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q1\",\"JCRName\":\"POLYMER SCIENCE\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Macromolecules","FirstCategoryId":"92","ListUrlMain":"https://pubs.acs.org/doi/10.1021/acs.macromol.5c00382","RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"POLYMER SCIENCE","Score":null,"Total":0}
Theoretical and Experimental Studies of qDOSY for the Determination of Chemical Compositions of Homo- and Copolymers in Mixtures
The new concept of quantitative diffusion ordered spectroscopy (qDOSY) will be introduced. This concept is theoretically based on equations derived for the determination of the chemical compositions of polymers within a mixture. It can be applied for mixtures of homopolymers, homopolymers and copolymers as well as mixtures of copolymers. In particular, it is very useful for the determination of chemical compositions of overlapping signals of monomer units in NMR spectra. Nonexponential Stejskal-Tanner equations allow for the determination of the molar contents of the different polymer components. The calculations of the initial integral intensities for the gradient amplitude at g = 0 T/m and the molar contents provide the theoretical basis for the determination of the chemical compositions of each polymer in the mixture as well as the individual compositions of copolymers. Many different mixtures of homo- and copolymers were prepared for experimental verification of the theoretical basis. Both the molar and weight percentages determined with qDOSY are in very good agreement with 1H NMR measurements and weighed balanced data. The deviations are below 4% for mixtures of two polymers.
期刊介绍：
Macromolecules publishes original, fundamental, and impactful research on all aspects of polymer science. Topics of interest include synthesis (e.g., controlled polymerizations, polymerization catalysis, post polymerization modification, new monomer structures and polymer architectures, and polymerization mechanisms/kinetics analysis); phase behavior, thermodynamics, dynamic, and ordering/disordering phenomena (e.g., self-assembly, gelation, crystallization, solution/melt/solid-state characteristics); structure and properties (e.g., mechanical and rheological properties, surface/interfacial characteristics, electronic and transport properties); new state of the art characterization (e.g., spectroscopy, scattering, microscopy, rheology), simulation (e.g., Monte Carlo, molecular dynamics, multi-scale/coarse-grained modeling), and theoretical methods. Renewable/sustainable polymers, polymer networks, responsive polymers, electro-, magneto- and opto-active macromolecules, inorganic polymers, charge-transporting polymers (ion-containing, semiconducting, and conducting), nanostructured polymers, and polymer composites are also of interest. Typical papers published in Macromolecules showcase important and innovative concepts, experimental methods/observations, and theoretical/computational approaches that demonstrate a fundamental advance in the understanding of polymers.
求助内容：
应助结果提醒方式：
京公网安备 11010802042870号
