Prediction of DES’ Vapor Pressure Using a New Corresponding State Model

IF 1.4 Q3 CHEMISTRY, MULTIDISCIPLINARY

Physical Chemistry Research Pub Date : 2020-09-01 DOI:10.22036/PCR.2020.211346.1707

Freidoon Esmaelizadeh, F. Zarei, S. M. Mousavi, G. Vakili-Nezhaad

{"title":"Prediction of DES’ Vapor Pressure Using a New Corresponding State Model","authors":"Freidoon Esmaelizadeh, F. Zarei, S. M. Mousavi, G. Vakili-Nezhaad","doi":"10.22036/PCR.2020.211346.1707","DOIUrl":null,"url":null,"abstract":"Application of deep eutectic solvents in industrial chemical processes are improved over time in last decades. In this work, vapor pressures of 13 classes of DESs (DES 1-13) based on 5 salts and 7 hydrogen bond donors with various combinations of molar ratio were used between 343-393 K. The vapor pressure of the pure and aqueous solutions of DESs was calculated by different equations of state, which are based on “φ-φ” and \"γ-φ\" approachs. Additionally, Voutsas and Wagner models as corresponding-state models were modified to predict the vapor pressure of the pure and aqueous solutions of DESs. The total average absolute relative deviations of the Modified-Voutsas and Modified-Wagner models for the vapor pressure calculation of the pure and aqueous solutions of DESs were 7.03, 9.08 % and 5.47, 7.15 %, respectively. Moreover, the validity of vapor pressure calculation using the two modified models was checked with the aid of a linear equation for the average specific heat capacity of different DESs (23 classes of DESs) between 278.15-353.15 K. Results showed that the total average absolute relative deviations of the specific heat capacity of DESs using the Modified-Voutsas and Modified-Wagner models from the experimental data were 4.128 and 4.056 %, respectively.","PeriodicalId":20084,"journal":{"name":"Physical Chemistry Research","volume":"8 1","pages":"471-496"},"PeriodicalIF":1.4000,"publicationDate":"2020-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"1","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Physical Chemistry Research","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.22036/PCR.2020.211346.1707","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}

引用次数: 1

Abstract

Application of deep eutectic solvents in industrial chemical processes are improved over time in last decades. In this work, vapor pressures of 13 classes of DESs (DES 1-13) based on 5 salts and 7 hydrogen bond donors with various combinations of molar ratio were used between 343-393 K. The vapor pressure of the pure and aqueous solutions of DESs was calculated by different equations of state, which are based on “φ-φ” and "γ-φ" approachs. Additionally, Voutsas and Wagner models as corresponding-state models were modified to predict the vapor pressure of the pure and aqueous solutions of DESs. The total average absolute relative deviations of the Modified-Voutsas and Modified-Wagner models for the vapor pressure calculation of the pure and aqueous solutions of DESs were 7.03, 9.08 % and 5.47, 7.15 %, respectively. Moreover, the validity of vapor pressure calculation using the two modified models was checked with the aid of a linear equation for the average specific heat capacity of different DESs (23 classes of DESs) between 278.15-353.15 K. Results showed that the total average absolute relative deviations of the specific heat capacity of DESs using the Modified-Voutsas and Modified-Wagner models from the experimental data were 4.128 and 4.056 %, respectively.

查看原文本刊更多论文

用一种新的对应态模型预测DES蒸气压

近几十年来，深共晶溶剂在工业化学过程中的应用不断得到改进。本文在343 ~ 393 K范围内，对基于5种盐和7种氢键给体、不同摩尔比组合的13类DES (DES 1-13)的蒸汽压进行了研究。采用“φ-φ”和“γ-φ”两种不同的状态方程计算了DESs纯溶液和水溶液的蒸汽压。此外，对Voutsas和Wagner模型作为对应状态模型进行了改进，以预测DESs纯溶液和水溶液的蒸汽压。修正voutsas模型和修正wagner模型对DESs纯溶液和水溶液蒸汽压计算的总平均绝对相对偏差分别为7.03%、9.08%和5.47%、7.15%。此外，利用23类蒸汽发生器的平均比热容(278.15 ~ 353.15 K)的线性方程，验证了两种修正模型计算蒸汽压的有效性。结果表明:采用修正voutsas和修正wagner模型计算的DESs比热容与实验数据的总平均绝对相对偏差分别为4.128和4.056%。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

求助全文

约1分钟内获得全文求助全文

来源期刊

Physical Chemistry Research CHEMISTRY, MULTIDISCIPLINARY-

CiteScore

2.70

自引率

8.30%

发文量

期刊介绍： The motivation for this new journal is the tremendous increasing of useful articles in the field of Physical Chemistry and the related subjects in recent years, and the need of communication between Physical Chemists, Physicists and Biophysicists. We attempt to establish this fruitful communication and quick publication. High quality original papers in English dealing with experimental, theoretical and applied research related to physics and chemistry are welcomed. This journal accepts your report for publication as a regular article, review, and Letter. Review articles discussing specific areas of physical chemistry of current chemical or physical importance are also published. Subjects of Interest: Thermodynamics, Statistical Mechanics, Statistical Thermodynamics, Molecular Spectroscopy, Quantum Chemistry, Computational Chemistry, Physical Chemistry of Life Sciences, Surface Chemistry, Catalysis, Physical Chemistry of Electrochemistry, Kinetics, Nanochemistry and Nanophysics, Liquid Crystals, Ionic Liquid, Photochemistry, Experimental article of Physical chemistry. Mathematical Chemistry.