René Cabezas , Felipe Olea , Elsie Zurob , Karin Jaramillo , Claudio Araya-Lopez , Matías Ayala , Esteban Quijada-Maldonado , Carolina Parra , Fabiola Valdebenito , Laura Azocar
{"title":"微波辅助加热深共晶溶剂的分析:热学和cosmos - rs研究","authors":"René Cabezas , Felipe Olea , Elsie Zurob , Karin Jaramillo , Claudio Araya-Lopez , Matías Ayala , Esteban Quijada-Maldonado , Carolina Parra , Fabiola Valdebenito , Laura Azocar","doi":"10.1016/j.molliq.2025.127775","DOIUrl":null,"url":null,"abstract":"<div><div>This study examines the heating behavior, thermal stability, and energy conversion efficiency of hydrophilic and hydrophobic Deep Eutectic Solvents (DES) when exposed to 2.45 GHz microwave radiation at a constant power of 405 W in an industrial oven. All DES were synthesized under controlled vacuum conditions, and their thermal and physical properties were characterized experimentally. Theoretical predictions of dielectric constants and polarity were obtained using COSMO-RS simulations. The heating behavior of DES was evaluated by monitoring temperature rise as a function of irradiation time, while thermal stability was analyzed using thermogravimetric analysis (TGA), differential scanning calorimetry (DSC), and Fourier-transform infrared spectroscopy (FTIR). Results suggest that the viscosity of DES significantly influences heating rates, with low-viscosity DES showing a rapid and energy-efficient temperature rise. Dielectric constants and polarity predicted by COSMO-RS aligned with the observed trends in microwave absorption. Additionally, TGA analyses confirmed that DES maintained thermal stability when heated below their degradation temperatures, as evidenced by negligible chemical changes in FTIR spectra after repeated heating cycles. Furthermore, the conversion of electrical work into thermal energy was substantially more efficient under microwave heating compared to conventional conductive heating. This work demonstrates that viscosity and polarity critically impact microwave energy absorption, supporting the use of DES as an efficient and stable media for microwave-assisted applications.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"433 ","pages":"Article 127775"},"PeriodicalIF":5.3000,"publicationDate":"2025-05-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Analysis of microwave-assisted heating of deep eutectic solvent: Thermal and COSMO-RS study\",\"authors\":\"René Cabezas , Felipe Olea , Elsie Zurob , Karin Jaramillo , Claudio Araya-Lopez , Matías Ayala , Esteban Quijada-Maldonado , Carolina Parra , Fabiola Valdebenito , Laura Azocar\",\"doi\":\"10.1016/j.molliq.2025.127775\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><div>This study examines the heating behavior, thermal stability, and energy conversion efficiency of hydrophilic and hydrophobic Deep Eutectic Solvents (DES) when exposed to 2.45 GHz microwave radiation at a constant power of 405 W in an industrial oven. All DES were synthesized under controlled vacuum conditions, and their thermal and physical properties were characterized experimentally. Theoretical predictions of dielectric constants and polarity were obtained using COSMO-RS simulations. The heating behavior of DES was evaluated by monitoring temperature rise as a function of irradiation time, while thermal stability was analyzed using thermogravimetric analysis (TGA), differential scanning calorimetry (DSC), and Fourier-transform infrared spectroscopy (FTIR). Results suggest that the viscosity of DES significantly influences heating rates, with low-viscosity DES showing a rapid and energy-efficient temperature rise. Dielectric constants and polarity predicted by COSMO-RS aligned with the observed trends in microwave absorption. Additionally, TGA analyses confirmed that DES maintained thermal stability when heated below their degradation temperatures, as evidenced by negligible chemical changes in FTIR spectra after repeated heating cycles. Furthermore, the conversion of electrical work into thermal energy was substantially more efficient under microwave heating compared to conventional conductive heating. This work demonstrates that viscosity and polarity critically impact microwave energy absorption, supporting the use of DES as an efficient and stable media for microwave-assisted applications.</div></div>\",\"PeriodicalId\":371,\"journal\":{\"name\":\"Journal of Molecular Liquids\",\"volume\":\"433 \",\"pages\":\"Article 127775\"},\"PeriodicalIF\":5.3000,\"publicationDate\":\"2025-05-14\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Journal of Molecular Liquids\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S0167732225009523\",\"RegionNum\":2,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"CHEMISTRY, PHYSICAL\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Molecular Liquids","FirstCategoryId":"92","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0167732225009523","RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
Analysis of microwave-assisted heating of deep eutectic solvent: Thermal and COSMO-RS study
This study examines the heating behavior, thermal stability, and energy conversion efficiency of hydrophilic and hydrophobic Deep Eutectic Solvents (DES) when exposed to 2.45 GHz microwave radiation at a constant power of 405 W in an industrial oven. All DES were synthesized under controlled vacuum conditions, and their thermal and physical properties were characterized experimentally. Theoretical predictions of dielectric constants and polarity were obtained using COSMO-RS simulations. The heating behavior of DES was evaluated by monitoring temperature rise as a function of irradiation time, while thermal stability was analyzed using thermogravimetric analysis (TGA), differential scanning calorimetry (DSC), and Fourier-transform infrared spectroscopy (FTIR). Results suggest that the viscosity of DES significantly influences heating rates, with low-viscosity DES showing a rapid and energy-efficient temperature rise. Dielectric constants and polarity predicted by COSMO-RS aligned with the observed trends in microwave absorption. Additionally, TGA analyses confirmed that DES maintained thermal stability when heated below their degradation temperatures, as evidenced by negligible chemical changes in FTIR spectra after repeated heating cycles. Furthermore, the conversion of electrical work into thermal energy was substantially more efficient under microwave heating compared to conventional conductive heating. This work demonstrates that viscosity and polarity critically impact microwave energy absorption, supporting the use of DES as an efficient and stable media for microwave-assisted applications.
期刊介绍:
The journal includes papers in the following areas:
– Simple organic liquids and mixtures
– Ionic liquids
– Surfactant solutions (including micelles and vesicles) and liquid interfaces
– Colloidal solutions and nanoparticles
– Thermotropic and lyotropic liquid crystals
– Ferrofluids
– Water, aqueous solutions and other hydrogen-bonded liquids
– Lubricants, polymer solutions and melts
– Molten metals and salts
– Phase transitions and critical phenomena in liquids and confined fluids
– Self assembly in complex liquids.– Biomolecules in solution
The emphasis is on the molecular (or microscopic) understanding of particular liquids or liquid systems, especially concerning structure, dynamics and intermolecular forces. The experimental techniques used may include:
– Conventional spectroscopy (mid-IR and far-IR, Raman, NMR, etc.)
– Non-linear optics and time resolved spectroscopy (psec, fsec, asec, ISRS, etc.)
– Light scattering (Rayleigh, Brillouin, PCS, etc.)
– Dielectric relaxation
– X-ray and neutron scattering and diffraction.
Experimental studies, computer simulations (MD or MC) and analytical theory will be considered for publication; papers just reporting experimental results that do not contribute to the understanding of the fundamentals of molecular and ionic liquids will not be accepted. Only papers of a non-routine nature and advancing the field will be considered for publication.