{"title":"基于剩余熵标度和三次状态方程的151种常见流体的粘度和导热系数模型。","authors":"Xiaoxian Yang","doi":"10.1021/acsomega.4c10815","DOIUrl":null,"url":null,"abstract":"<p><p>A residual entropy scaling (RES) approach combined with the cubic equation of state (EoS) was developed to calculate the viscosity and thermal conductivity of 151 common fluids. These pure fluids are all the pure fluids available in the NIST's REFPROP 10.0 database. Seven cubic EoS were studied, while only four yielded good and similar results; these are Peng-Robinson (PR), Soave-Redlich-Kwong (SRK), Patel-Teja-Valderrama (PTV), and Yang-Frotscher-Richter (YFR) EoS. The parameters of a pure fluid in this cubic EoS + RES approach were fitted using experimental data if they are available in the NIST ThermoData Engine database 10.1, otherwise, using the calculations of REFPROP 10.0. This approach is applicable in the entire temperature and pressure ranges for thermal conductivity and at pressures lower than 60 MPa for viscosity. Using this approach, the average absolute value of the relative deviation (AARD) of all of the analyzable experimental values from model calculations was approximately 3.1% and 3.6% for viscosity and thermal conductivity, respectively. This result is not too bad compared to 2.7% and 2.5% obtained by the state-of-the-art viscosity and thermal conductivity models in REFPROP 10.0. The key advantage of this approach is that it has a much simpler equation form and can be easily extended to more fluids. The developed approach has been implemented in the OilMixProp 1.0 software package, and this work will be a basis for the future development of more than 600 pure fluids.</p>","PeriodicalId":22,"journal":{"name":"ACS Omega","volume":"10 6","pages":"6124-6134"},"PeriodicalIF":4.3000,"publicationDate":"2025-02-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11840589/pdf/","citationCount":"0","resultStr":"{\"title\":\"Viscosity and Thermal Conductivity Models of 151 Common Fluids Based on Residual Entropy Scaling and Cubic Equations of State.\",\"authors\":\"Xiaoxian Yang\",\"doi\":\"10.1021/acsomega.4c10815\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p><p>A residual entropy scaling (RES) approach combined with the cubic equation of state (EoS) was developed to calculate the viscosity and thermal conductivity of 151 common fluids. These pure fluids are all the pure fluids available in the NIST's REFPROP 10.0 database. Seven cubic EoS were studied, while only four yielded good and similar results; these are Peng-Robinson (PR), Soave-Redlich-Kwong (SRK), Patel-Teja-Valderrama (PTV), and Yang-Frotscher-Richter (YFR) EoS. The parameters of a pure fluid in this cubic EoS + RES approach were fitted using experimental data if they are available in the NIST ThermoData Engine database 10.1, otherwise, using the calculations of REFPROP 10.0. This approach is applicable in the entire temperature and pressure ranges for thermal conductivity and at pressures lower than 60 MPa for viscosity. Using this approach, the average absolute value of the relative deviation (AARD) of all of the analyzable experimental values from model calculations was approximately 3.1% and 3.6% for viscosity and thermal conductivity, respectively. This result is not too bad compared to 2.7% and 2.5% obtained by the state-of-the-art viscosity and thermal conductivity models in REFPROP 10.0. The key advantage of this approach is that it has a much simpler equation form and can be easily extended to more fluids. The developed approach has been implemented in the OilMixProp 1.0 software package, and this work will be a basis for the future development of more than 600 pure fluids.</p>\",\"PeriodicalId\":22,\"journal\":{\"name\":\"ACS Omega\",\"volume\":\"10 6\",\"pages\":\"6124-6134\"},\"PeriodicalIF\":4.3000,\"publicationDate\":\"2025-02-08\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11840589/pdf/\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"ACS Omega\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://doi.org/10.1021/acsomega.4c10815\",\"RegionNum\":3,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"2025/2/18 0:00:00\",\"PubModel\":\"eCollection\",\"JCR\":\"Q2\",\"JCRName\":\"CHEMISTRY, MULTIDISCIPLINARY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"ACS Omega","FirstCategoryId":"92","ListUrlMain":"https://doi.org/10.1021/acsomega.4c10815","RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"2025/2/18 0:00:00","PubModel":"eCollection","JCR":"Q2","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}
Viscosity and Thermal Conductivity Models of 151 Common Fluids Based on Residual Entropy Scaling and Cubic Equations of State.
A residual entropy scaling (RES) approach combined with the cubic equation of state (EoS) was developed to calculate the viscosity and thermal conductivity of 151 common fluids. These pure fluids are all the pure fluids available in the NIST's REFPROP 10.0 database. Seven cubic EoS were studied, while only four yielded good and similar results; these are Peng-Robinson (PR), Soave-Redlich-Kwong (SRK), Patel-Teja-Valderrama (PTV), and Yang-Frotscher-Richter (YFR) EoS. The parameters of a pure fluid in this cubic EoS + RES approach were fitted using experimental data if they are available in the NIST ThermoData Engine database 10.1, otherwise, using the calculations of REFPROP 10.0. This approach is applicable in the entire temperature and pressure ranges for thermal conductivity and at pressures lower than 60 MPa for viscosity. Using this approach, the average absolute value of the relative deviation (AARD) of all of the analyzable experimental values from model calculations was approximately 3.1% and 3.6% for viscosity and thermal conductivity, respectively. This result is not too bad compared to 2.7% and 2.5% obtained by the state-of-the-art viscosity and thermal conductivity models in REFPROP 10.0. The key advantage of this approach is that it has a much simpler equation form and can be easily extended to more fluids. The developed approach has been implemented in the OilMixProp 1.0 software package, and this work will be a basis for the future development of more than 600 pure fluids.
ACS OmegaChemical Engineering-General Chemical Engineering
CiteScore
6.60
自引率
4.90%
发文量
3945
审稿时长
2.4 months
期刊介绍:
ACS Omega is an open-access global publication for scientific articles that describe new findings in chemistry and interfacing areas of science, without any perceived evaluation of immediate impact.