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

IF 3.1 2区 化学 Q2 CHEMISTRY, ANALYTICAL
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引用次数: 0

摘要

在合成高压装置中,研究了超临界二氧化碳(SU-CO2)+乙酰乙酸苄酯和 SU-CO2 +乙酸苄酯二元体系在 313.2 至 393.2 K 的五个温度和高达 33.53 MPa 的压力下的溶相行为,以期为食品、制药和化妆品工业应用带来益处。在恒压条件下,乙酰乙酸苄酯和乙酸苄酯在 SU-CO2 + 乙酰乙酸苄酯和 SU-CO2 + 乙酸苄酯体系中的溶解度分别随着温度的升高而增加。两个体系的等温线均表现为简单的 I 类相行为。此外,利用可调节的分子相互作用参数(kij 和 ηij),彭-罗宾逊状态方程被成功地应用于预测 SU-CO2 + 苯甲酯体系的相行为。在任何温度和压力下,两个体系都没有显示出三相行为。在溶解度曲线上方和整个溶解度曲线上,确定了单流体相的位置,而在临界曲线内,两种二元体系都显示了两相的位置。临界混合物曲线为任何二元体系的相行为研究提供了指纹,因为它可用于有效地理解和计算热力学性质。所研究模型的准确性是通过利用与温度相关的优化混合物参数来评估均方根偏差的百分比进行测试的。事实上,这是预测乙酰乙酸苄酯和乙酸苄酯在 SU-CO2 中相变行为的第一个参考点,其研究结果对工业应用具有重要意义。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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.

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来源期刊
Thermochimica Acta
Thermochimica Acta 化学-分析化学
CiteScore
6.50
自引率
8.60%
发文量
210
审稿时长
40 days
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
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