{"title":"二氧化碳+乙酰乙酸苄酯和二氧化碳+乙酸苄酯混合物在高压下的平衡曲线和二元系统建模","authors":"Min-Soo Park , Divya Baskaran , Hun Soo Byun","doi":"10.1016/j.tca.2024.179832","DOIUrl":null,"url":null,"abstract":"<div><p>The solution phase behavior of the binary systems of supercritical carbon di-oxide (SU-CO<sub>2</sub>) + benzyl acetoacetate and SU-CO<sub>2</sub> + benzyl acetate was investigated in a synthetic high-pressure apparatus at five temperatures from 313.2 to 393.2 K and pressure up to 33.53 MPa for the industrial benefit of food, pharmaceutical and cosmetics application. The solubility of benzyl acetoacetate and benzyl acetate in the SU-CO<sub>2</sub> + benzyl acetoacetate and SU-CO<sub>2</sub> + benzyl acetate systems were increased with increasing temperature at constant pressure, respectively. Both system isotherms were exhibited in the simple Type-I category phase behavior. Besides, the Peng-Robinson equation of state has been successfully applied to predict the phase behavior of the SU-CO<sub>2</sub> + benzyl ester systems using adjustable molecular interaction parameters (<em>k</em><sub>ij</sub> and <em>η</em><sub>ij</sub>). Neither system shows a three-phase behavior at any point of temperature and pressure. A one-fluid-phase locale was ascertained above and throughout the solubility curve whereas a two-phase locale was exhibited inside the critical curve for both binary systems. The critical mixture curve provides the fingerprint for the phase behavior study of any binary system since it is used to understand and calculate thermodynamic properties effectively. The accuracy of the studied model was tested by evaluating the percentage of root mean square deviation utilizing optimized temperature-dependent mixture parameters. Indeed, this is the first reference point for the prediction of phase transition behavior for benzyl acetoacetate and benzyl acetate in SU-CO<sub>2</sub> and the findings make a remarkable impression on industrial applications.</p></div>","PeriodicalId":23058,"journal":{"name":"Thermochimica Acta","volume":"740 ","pages":"Article 179832"},"PeriodicalIF":3.1000,"publicationDate":"2024-07-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Equilibrium curves and modeling of binary systems for the carbon di-oxide + benzyl acetoacetate and carbon di-oxide + benzyl acetate mixtures under high pressure\",\"authors\":\"Min-Soo Park , Divya Baskaran , Hun Soo Byun\",\"doi\":\"10.1016/j.tca.2024.179832\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>The solution phase behavior of the binary systems of supercritical carbon di-oxide (SU-CO<sub>2</sub>) + benzyl acetoacetate and SU-CO<sub>2</sub> + benzyl acetate was investigated in a synthetic high-pressure apparatus at five temperatures from 313.2 to 393.2 K and pressure up to 33.53 MPa for the industrial benefit of food, pharmaceutical and cosmetics application. The solubility of benzyl acetoacetate and benzyl acetate in the SU-CO<sub>2</sub> + benzyl acetoacetate and SU-CO<sub>2</sub> + benzyl acetate systems were increased with increasing temperature at constant pressure, respectively. Both system isotherms were exhibited in the simple Type-I category phase behavior. Besides, the Peng-Robinson equation of state has been successfully applied to predict the phase behavior of the SU-CO<sub>2</sub> + benzyl ester systems using adjustable molecular interaction parameters (<em>k</em><sub>ij</sub> and <em>η</em><sub>ij</sub>). Neither system shows a three-phase behavior at any point of temperature and pressure. A one-fluid-phase locale was ascertained above and throughout the solubility curve whereas a two-phase locale was exhibited inside the critical curve for both binary systems. The critical mixture curve provides the fingerprint for the phase behavior study of any binary system since it is used to understand and calculate thermodynamic properties effectively. The accuracy of the studied model was tested by evaluating the percentage of root mean square deviation utilizing optimized temperature-dependent mixture parameters. Indeed, this is the first reference point for the prediction of phase transition behavior for benzyl acetoacetate and benzyl acetate in SU-CO<sub>2</sub> and the findings make a remarkable impression on industrial applications.</p></div>\",\"PeriodicalId\":23058,\"journal\":{\"name\":\"Thermochimica Acta\",\"volume\":\"740 \",\"pages\":\"Article 179832\"},\"PeriodicalIF\":3.1000,\"publicationDate\":\"2024-07-25\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Thermochimica Acta\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S0040603124001710\",\"RegionNum\":2,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"CHEMISTRY, ANALYTICAL\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Thermochimica Acta","FirstCategoryId":"92","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0040603124001710","RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"CHEMISTRY, ANALYTICAL","Score":null,"Total":0}
Equilibrium curves and modeling of binary systems for the carbon di-oxide + benzyl acetoacetate and carbon di-oxide + benzyl acetate mixtures under high pressure
The solution phase behavior of the binary systems of supercritical carbon di-oxide (SU-CO2) + benzyl acetoacetate and SU-CO2 + benzyl acetate was investigated in a synthetic high-pressure apparatus at five temperatures from 313.2 to 393.2 K and pressure up to 33.53 MPa for the industrial benefit of food, pharmaceutical and cosmetics application. The solubility of benzyl acetoacetate and benzyl acetate in the SU-CO2 + benzyl acetoacetate and SU-CO2 + benzyl acetate systems were increased with increasing temperature at constant pressure, respectively. Both system isotherms were exhibited in the simple Type-I category phase behavior. Besides, the Peng-Robinson equation of state has been successfully applied to predict the phase behavior of the SU-CO2 + benzyl ester systems using adjustable molecular interaction parameters (kij and ηij). Neither system shows a three-phase behavior at any point of temperature and pressure. A one-fluid-phase locale was ascertained above and throughout the solubility curve whereas a two-phase locale was exhibited inside the critical curve for both binary systems. The critical mixture curve provides the fingerprint for the phase behavior study of any binary system since it is used to understand and calculate thermodynamic properties effectively. The accuracy of the studied model was tested by evaluating the percentage of root mean square deviation utilizing optimized temperature-dependent mixture parameters. Indeed, this is the first reference point for the prediction of phase transition behavior for benzyl acetoacetate and benzyl acetate in SU-CO2 and the findings make a remarkable impression on industrial applications.
期刊介绍:
Thermochimica Acta publishes original research contributions covering all aspects of thermoanalytical and calorimetric methods and their application to experimental chemistry, physics, biology and engineering. The journal aims to span the whole range from fundamental research to practical application.
The journal focuses on the research that advances physical and analytical science of thermal phenomena. Therefore, the manuscripts are expected to provide important insights into the thermal phenomena studied or to propose significant improvements of analytical or computational techniques employed in thermal studies. Manuscripts that report the results of routine thermal measurements are not suitable for publication in Thermochimica Acta.
The journal particularly welcomes papers from newly emerging areas as well as from the traditional strength areas:
- New and improved instrumentation and methods
- Thermal properties and behavior of materials
- Kinetics of thermally stimulated processes