Jiyuan Zhang, Guojun Ji, Rui Cao, Bo Zhang, Qiang Li* and Jianbin Zhang*,
{"title":"(2-丙氧乙醇+ 3-二乙胺丙胺)混合溶液在T = 298.15-318.15 K和大气压下吸收CO2的密度、粘度和体积特性","authors":"Jiyuan Zhang, Guojun Ji, Rui Cao, Bo Zhang, Qiang Li* and Jianbin Zhang*, ","doi":"10.1021/acs.jced.4c0071210.1021/acs.jced.4c00712","DOIUrl":null,"url":null,"abstract":"<p >Density and viscosity properties of 2-propoxyethanol (2-PE) + 3-diethylamino propylamine (DEAPA) mixed solutions were investigated at <i>T</i> = (298.15, 303.15, 308.15, 313.15, and 318.15) K and <i>P</i> = 100.5 kPa. After that, density was fitted well by the least-squares method, and viscosity was fitted well by the Arrhenius equation. According to basic data of density and viscosity, the excess properties and thermodynamic quantities of the mixed solutions were calculated, which indicated that an intermolecular interaction between 2-PE and DEAPA existed. Furthermore, computational chemistry and spectral analyses are used to explore the types of intermolecular interaction forces. Through computational chemistry, the most stable configurations of two organic single molecules and (2-PE + 2-PE, DEAPA + DEAPA, and 2-PE + DEAPA) bimolecules were optimized, and the hydrogen bond (HB) between the molecules was inferred. Through spectral analyses, Raman and <sup>1</sup>H NMR spectra were respectively used to characterize the (2-PE + DEAPA) mixed solutions. The hydrogen bonding mechanism was further found to be consistent with computational chemistry. Subsequently, based on the molar ratio of the strong intermolecular interactions, the (2-PE + DEAPA) mixed solutions presented a strong absorption capability of 0.6382 mol of CO<sub>2</sub>/mol of DEAPA for CO<sub>2</sub> fixation at 150 min.</p>","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"70 4","pages":"1590–1603 1590–1603"},"PeriodicalIF":2.0000,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Density, Viscosity, and Volumetric Properties of (2-Propoxyethanol + 3-Diethylamino Propylamine) Mixed Solutions at T = 298.15–318.15 K and Atmospheric Pressure for Absorption of CO2\",\"authors\":\"Jiyuan Zhang, Guojun Ji, Rui Cao, Bo Zhang, Qiang Li* and Jianbin Zhang*, \",\"doi\":\"10.1021/acs.jced.4c0071210.1021/acs.jced.4c00712\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p >Density and viscosity properties of 2-propoxyethanol (2-PE) + 3-diethylamino propylamine (DEAPA) mixed solutions were investigated at <i>T</i> = (298.15, 303.15, 308.15, 313.15, and 318.15) K and <i>P</i> = 100.5 kPa. After that, density was fitted well by the least-squares method, and viscosity was fitted well by the Arrhenius equation. According to basic data of density and viscosity, the excess properties and thermodynamic quantities of the mixed solutions were calculated, which indicated that an intermolecular interaction between 2-PE and DEAPA existed. Furthermore, computational chemistry and spectral analyses are used to explore the types of intermolecular interaction forces. Through computational chemistry, the most stable configurations of two organic single molecules and (2-PE + 2-PE, DEAPA + DEAPA, and 2-PE + DEAPA) bimolecules were optimized, and the hydrogen bond (HB) between the molecules was inferred. Through spectral analyses, Raman and <sup>1</sup>H NMR spectra were respectively used to characterize the (2-PE + DEAPA) mixed solutions. The hydrogen bonding mechanism was further found to be consistent with computational chemistry. Subsequently, based on the molar ratio of the strong intermolecular interactions, the (2-PE + DEAPA) mixed solutions presented a strong absorption capability of 0.6382 mol of CO<sub>2</sub>/mol of DEAPA for CO<sub>2</sub> fixation at 150 min.</p>\",\"PeriodicalId\":42,\"journal\":{\"name\":\"Journal of Chemical & Engineering Data\",\"volume\":\"70 4\",\"pages\":\"1590–1603 1590–1603\"},\"PeriodicalIF\":2.0000,\"publicationDate\":\"2025-04-01\",\"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.4c00712\",\"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.4c00712","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}
Density, Viscosity, and Volumetric Properties of (2-Propoxyethanol + 3-Diethylamino Propylamine) Mixed Solutions at T = 298.15–318.15 K and Atmospheric Pressure for Absorption of CO2
Density and viscosity properties of 2-propoxyethanol (2-PE) + 3-diethylamino propylamine (DEAPA) mixed solutions were investigated at T = (298.15, 303.15, 308.15, 313.15, and 318.15) K and P = 100.5 kPa. After that, density was fitted well by the least-squares method, and viscosity was fitted well by the Arrhenius equation. According to basic data of density and viscosity, the excess properties and thermodynamic quantities of the mixed solutions were calculated, which indicated that an intermolecular interaction between 2-PE and DEAPA existed. Furthermore, computational chemistry and spectral analyses are used to explore the types of intermolecular interaction forces. Through computational chemistry, the most stable configurations of two organic single molecules and (2-PE + 2-PE, DEAPA + DEAPA, and 2-PE + DEAPA) bimolecules were optimized, and the hydrogen bond (HB) between the molecules was inferred. Through spectral analyses, Raman and 1H NMR spectra were respectively used to characterize the (2-PE + DEAPA) mixed solutions. The hydrogen bonding mechanism was further found to be consistent with computational chemistry. Subsequently, based on the molar ratio of the strong intermolecular interactions, the (2-PE + DEAPA) mixed solutions presented a strong absorption capability of 0.6382 mol of CO2/mol of DEAPA for CO2 fixation at 150 min.
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.