Marc Mulamba Tshibangu*, Christophe Coquelet, Caleb Narasigadu and Deresh Ramjugernath,
{"title":"Phase Equilibrium Study of Ethane + Perfluorohexane System across Temperatures from 292.89 to 317.92 K and Pressures from 0.513 to 4.913 MPa","authors":"Marc Mulamba Tshibangu*, Christophe Coquelet, Caleb Narasigadu and Deresh Ramjugernath, ","doi":"10.1021/acs.jced.4c0065910.1021/acs.jced.4c00659","DOIUrl":null,"url":null,"abstract":"<p >This study provides comprehensive experimental vapor–liquid equilibrium data for a system composed of perfluorohexane and ethane at four temperatures (292.89 to 317.92) K and pressures spanning from 0.513 to 4.913 MPa. The experimental investigation was achieved using a “static–analytic” equipment fitted with a capillary sampler for the equilibrium phases. The expanded uncertainties in the measurement of temperatures, pressures, and mole fractions were determined to be within 0.04 K, 0.003 MPa, and less than 0.03, respectively. The phase equilibrium data were successfully modeled via the phi–phi approach using two sets of thermodynamic models, i.e., the Peng–Robinson equation of state with the Wong–Sandler mixing rule or the Soave–Redlich–Kwong equation of state with the predictive Soave–Redlich–Kwong mixing rule. The parameters of both models were adjusted using the ordinary least-squares objective function. The PR-MC-WS-NRTL model slightly outperforms the SRK-MC-PSRK-NRTL model in representing experimental data, with both models showing minor differences and bias <i>P</i>, bias <i>y</i>, and AAD <i>y</i> values within 1%, while AAD <i>P</i> values exceed 1% but remain nearly identical for both. A comparison of the VLE data for the C<sub>2</sub>H<sub>6</sub> + C<sub>6</sub>F<sub>14</sub> and the CO<sub>2</sub> + C<sub>6</sub>F<sub>14</sub> systems reveals that C<sub>6</sub>F<sub>14</sub> exhibits strong selectivity for C<sub>2</sub>H<sub>6</sub> over that of CO<sub>2</sub> at high pressures.</p>","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"70 1","pages":"439–445 439–445"},"PeriodicalIF":2.0000,"publicationDate":"2024-12-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Chemical & Engineering Data","FirstCategoryId":"1","ListUrlMain":"https://pubs.acs.org/doi/10.1021/acs.jced.4c00659","RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}
引用次数: 0
Abstract
This study provides comprehensive experimental vapor–liquid equilibrium data for a system composed of perfluorohexane and ethane at four temperatures (292.89 to 317.92) K and pressures spanning from 0.513 to 4.913 MPa. The experimental investigation was achieved using a “static–analytic” equipment fitted with a capillary sampler for the equilibrium phases. The expanded uncertainties in the measurement of temperatures, pressures, and mole fractions were determined to be within 0.04 K, 0.003 MPa, and less than 0.03, respectively. The phase equilibrium data were successfully modeled via the phi–phi approach using two sets of thermodynamic models, i.e., the Peng–Robinson equation of state with the Wong–Sandler mixing rule or the Soave–Redlich–Kwong equation of state with the predictive Soave–Redlich–Kwong mixing rule. The parameters of both models were adjusted using the ordinary least-squares objective function. The PR-MC-WS-NRTL model slightly outperforms the SRK-MC-PSRK-NRTL model in representing experimental data, with both models showing minor differences and bias P, bias y, and AAD y values within 1%, while AAD P values exceed 1% but remain nearly identical for both. A comparison of the VLE data for the C2H6 + C6F14 and the CO2 + C6F14 systems reveals that C6F14 exhibits strong selectivity for C2H6 over that of CO2 at high pressures.
期刊介绍:
The Journal of Chemical & Engineering Data is a monthly journal devoted to the publication of data obtained from both experiment and computation, which are viewed as complementary. It is the only American Chemical Society journal primarily concerned with articles containing data on the phase behavior and the physical, thermodynamic, and transport properties of well-defined materials, including complex mixtures of known compositions. While environmental and biological samples are of interest, their compositions must be known and reproducible. As a result, adsorption on natural product materials does not generally fit within the scope of Journal of Chemical & Engineering Data.