Roberto M. Balan-Chan, Ricardo Macías-Salinas, Alfredo Pimentel-Rodas, Rubén P. Mendo-Sánchez, Diana L. Salas-Gallegos
{"title":"含co2的十六烷混合物在纯水和乙醇-水溶液中水合物相平衡的实验和模型研究","authors":"Roberto M. Balan-Chan, Ricardo Macías-Salinas, Alfredo Pimentel-Rodas, Rubén P. Mendo-Sánchez, Diana L. Salas-Gallegos","doi":"10.1021/acs.jced.5c00636","DOIUrl":null,"url":null,"abstract":"<p>In this work, we developed a model\r\ncapable of representing\r\nexperimental\r\nhydrate-phase equilibria data for mixtures containing hexadecane in\r\npure water and in ethanol–water solutions, yielding an average\r\nabsolute percentage deviation (AAPD) of 0.6% and a maximum absolute\r\npercentage deviation (MAPD) of 1.8%. Experimental determinations of\r\nthe hydrate phase equilibria data of mixtures containing hexadecane\r\nwith and without the presence of a thermodynamic inhibitor (ethanol)\r\nwere carried out and represented with the proposed model. The nonvisual\r\nisochoric method by pressure search was used to determine hydrate\r\nphase equilibrium data over the temperature ranges of (269.4 to 277.7)\r\nK and pressure ranges of (1.3 to 3.1) MPa at a fixed hexadecane mass\r\nfraction composition (<em>w</em><sub>C<sub>16</sub>H<sub>34</sub></sub> = 0.1) and several ethanol mass fractions (<em>w</em><sub>C<sub>2</sub>H<sub>6</sub>O</sub> = 0.05, 0.10, 0.15). Uncertainty\r\nanalysis was performed, yielding combined uncertainties of 0.14 K\r\nand 0.02 MPa for temperature and pressure, respectively, and a relative\r\nstandard uncertainty of 0.0016 for mass fraction. Prior to the measurements,\r\nthe viability of the experimental technique was assessed by comparing\r\ninternational literature (pure CO<sub>2</sub> hydrate phase equilibrium\r\ndata) with data obtained using our equipment, thus showing good agreement.\r\nA thermodynamic consistency test was performed to verify the reliability\r\nof the experimental data involving ethanol.</p>","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"71 8","pages":"3532–3542"},"PeriodicalIF":2.4000,"publicationDate":"2026-08-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Experimental and Modeling Study of Hydrate Phase Equilibria for CO2-Containing Hexadecane Mixtures in Pure Water and Ethanol–Water Solutions\",\"authors\":\"Roberto M. Balan-Chan, Ricardo Macías-Salinas, Alfredo Pimentel-Rodas, Rubén P. Mendo-Sánchez, Diana L. Salas-Gallegos\",\"doi\":\"10.1021/acs.jced.5c00636\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p>In this work, we developed a model\\r\\ncapable of representing\\r\\nexperimental\\r\\nhydrate-phase equilibria data for mixtures containing hexadecane in\\r\\npure water and in ethanol–water solutions, yielding an average\\r\\nabsolute percentage deviation (AAPD) of 0.6% and a maximum absolute\\r\\npercentage deviation (MAPD) of 1.8%. Experimental determinations of\\r\\nthe hydrate phase equilibria data of mixtures containing hexadecane\\r\\nwith and without the presence of a thermodynamic inhibitor (ethanol)\\r\\nwere carried out and represented with the proposed model. The nonvisual\\r\\nisochoric method by pressure search was used to determine hydrate\\r\\nphase equilibrium data over the temperature ranges of (269.4 to 277.7)\\r\\nK and pressure ranges of (1.3 to 3.1) MPa at a fixed hexadecane mass\\r\\nfraction composition (<em>w</em><sub>C<sub>16</sub>H<sub>34</sub></sub> = 0.1) and several ethanol mass fractions (<em>w</em><sub>C<sub>2</sub>H<sub>6</sub>O</sub> = 0.05, 0.10, 0.15). Uncertainty\\r\\nanalysis was performed, yielding combined uncertainties of 0.14 K\\r\\nand 0.02 MPa for temperature and pressure, respectively, and a relative\\r\\nstandard uncertainty of 0.0016 for mass fraction. Prior to the measurements,\\r\\nthe viability of the experimental technique was assessed by comparing\\r\\ninternational literature (pure CO<sub>2</sub> hydrate phase equilibrium\\r\\ndata) with data obtained using our equipment, thus showing good agreement.\\r\\nA thermodynamic consistency test was performed to verify the reliability\\r\\nof the experimental data involving ethanol.</p>\",\"PeriodicalId\":42,\"journal\":{\"name\":\"Journal of Chemical & Engineering Data\",\"volume\":\"71 8\",\"pages\":\"3532–3542\"},\"PeriodicalIF\":2.4000,\"publicationDate\":\"2026-08-13\",\"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.5c00636\",\"RegionNum\":3,\"RegionCategory\":\"工程技术\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"2026/7/28 0:00:00\",\"PubModel\":\"Epub\",\"JCR\":\"Q3\",\"JCRName\":\"CHEMISTRY, MULTIDISCIPLINARY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Chemical & Engineering Data","FirstCategoryId":"1","ListUrlMain":"https://pubs.acs.org/doi/10.1021/acs.jced.5c00636","RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"2026/7/28 0:00:00","PubModel":"Epub","JCR":"Q3","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}
Experimental and Modeling Study of Hydrate Phase Equilibria for CO2-Containing Hexadecane Mixtures in Pure Water and Ethanol–Water Solutions
In this work, we developed a model
capable of representing
experimental
hydrate-phase equilibria data for mixtures containing hexadecane in
pure water and in ethanol–water solutions, yielding an average
absolute percentage deviation (AAPD) of 0.6% and a maximum absolute
percentage deviation (MAPD) of 1.8%. Experimental determinations of
the hydrate phase equilibria data of mixtures containing hexadecane
with and without the presence of a thermodynamic inhibitor (ethanol)
were carried out and represented with the proposed model. The nonvisual
isochoric method by pressure search was used to determine hydrate
phase equilibrium data over the temperature ranges of (269.4 to 277.7)
K and pressure ranges of (1.3 to 3.1) MPa at a fixed hexadecane mass
fraction composition (wC16H34 = 0.1) and several ethanol mass fractions (wC2H6O = 0.05, 0.10, 0.15). Uncertainty
analysis was performed, yielding combined uncertainties of 0.14 K
and 0.02 MPa for temperature and pressure, respectively, and a relative
standard uncertainty of 0.0016 for mass fraction. Prior to the measurements,
the viability of the experimental technique was assessed by comparing
international literature (pure CO2 hydrate phase equilibrium
data) with data obtained using our equipment, thus showing good agreement.
A thermodynamic consistency test was performed to verify the reliability
of the experimental data involving ethanol.
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.