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Permittivity Modeling in Electrolyte PC-SAFT 电解质 PC-SAFT 中的幂率建模
IF 2.694 3区 工程技术
Journal of Chemical & Engineering Data Pub Date : 2024-09-02 DOI: 10.1021/acs.jced.4c00347
Lisa Rueben, Philipp Rehner, Joachim Gross, André Bardow
{"title":"Permittivity Modeling in Electrolyte PC-SAFT","authors":"Lisa Rueben, Philipp Rehner, Joachim Gross, André Bardow","doi":"10.1021/acs.jced.4c00347","DOIUrl":"https://doi.org/10.1021/acs.jced.4c00347","url":null,"abstract":"Accurately modeling the thermodynamic properties of electrolyte systems is key to designing decarbonized energy and chemical processes. For this purpose, a promising model class are electrolyte equations of state. These electrolyte equations of state require the relative static permittivity as an important input. The permittivity in solution deviates from the solvent permittivity, particularly at high ion concentrations. This deviation necessitates an approach to account for this dielectric decrement. This work presents a model for the dielectric decrement in the electrolyte equation of state ePC-SAFT. For this purpose, we extend ePC-SAFT by integrating our previous model for the relative static permittivity, based on perturbation theory. To account for the dielectric decrement, we obtain ion-specific permittivity parameters by adjusting to experimental mean ionic activity coefficients of water–salt mixtures. With a relative deviation of 4.1% averaged over all studied mixtures, the proposed approach accurately models mean ionic activity coefficients for lithium salts, sodium salts, potassium salts, and hydrogen halides. Moreover, the approach outperforms the common linear mixing approach based on the mole fraction. In this work, ePC-SAFT is implemented in the open-source software framework for equations of state FeO<sub>s</sub> and can be used as an easy-to-install Python package.","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"27 1","pages":""},"PeriodicalIF":2.694,"publicationDate":"2024-09-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142188014","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
The Volatility of Energetic Materials and How to Safely Determine Them: Exemplified by Nitro-Pyrazoles via Transpiration Method, Differential Scanning, and Bomb Calorimetry 高能材料的挥发性及其安全测定方法:以硝基吡唑为例,通过蒸腾法、差示扫描法和炸弹量热法进行分析
IF 2.694 3区 工程技术
Journal of Chemical & Engineering Data Pub Date : 2024-09-02 DOI: 10.1021/acs.jced.4c00220
Thomas M. Klapötke, Laura Lodetti, Andreas Neuer, Elena Reinhardt
{"title":"The Volatility of Energetic Materials and How to Safely Determine Them: Exemplified by Nitro-Pyrazoles via Transpiration Method, Differential Scanning, and Bomb Calorimetry","authors":"Thomas M. Klapötke, Laura Lodetti, Andreas Neuer, Elena Reinhardt","doi":"10.1021/acs.jced.4c00220","DOIUrl":"https://doi.org/10.1021/acs.jced.4c00220","url":null,"abstract":"This publication presents a detailed examination of the volatility of high energy density materials, specifically focusing on pure nitro-pyrazoles. The study uses the transpiration method to measure the vapor pressure and corresponding parameters of these energetic materials in the range of 274–422 K, ensuring safety and accuracy. The investigations were supported by analysis using differential scanning and bomb calorimetry in order to incorporate parameters such as the molar heat capacity and molar standard enthalpy of formation. The vapor pressure provides crucial insights into the phase change ability of these substances and is fundamental for understanding the risk associated with handling these materials, their potential for detection, and their overall thermodynamic behavior. The publication thoroughly discusses the safety measures in place to handle these blastable materials, the innovative use of open and modular setups, and the advantages of using diluted samples for analysis. The results of the study contribute significantly to the knowledge of the volatility behavior of these compounds and offer guidance about their safe handling and potential applications.","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"37 1","pages":""},"PeriodicalIF":2.694,"publicationDate":"2024-09-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142188044","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Fick Diffusion Coefficients and Thermal Diffusivities in Binary Liquid Mixtures Containing Alkanes and/or Cyclic Hydrocarbons by Using the Shadowgraph Method 利用阴影图法计算含烷烃和/或环烃类的二元液体混合物的菲克扩散系数和热扩散率
IF 2.694 3区 工程技术
Journal of Chemical & Engineering Data Pub Date : 2024-08-29 DOI: 10.1021/acs.jced.4c00290
Patrick S. Schmidt, Xiaohan Huang, Andreas P. Fröba
{"title":"Fick Diffusion Coefficients and Thermal Diffusivities in Binary Liquid Mixtures Containing Alkanes and/or Cyclic Hydrocarbons by Using the Shadowgraph Method","authors":"Patrick S. Schmidt, Xiaohan Huang, Andreas P. Fröba","doi":"10.1021/acs.jced.4c00290","DOIUrl":"https://doi.org/10.1021/acs.jced.4c00290","url":null,"abstract":"The present work reports Fick diffusion coefficients <i>D</i><sub>11</sub> and thermal diffusivities <i>a</i> of binary liquid mixtures containing <i>n</i>-heptane, 2,3-dimethylpentane, methylcyclohexane, toluene, <i>n</i>-decane, butylcyclohexane, butylbenzene, naphthalene, <i>cis</i>- or <i>trans</i>-decahydronaphthalene, 1,2,3,4-tetrahydronaphthalene, diphenylmethane, dicyclohexylmethane, ortho-benzyltoluene, or ortho-perhydrobenzyltoluene at equimolar composition determined by the shadowgraph method. Experiments were performed in the compressed liquid phase at temperatures <i>T</i> from (298 to 473) K and pressures <i>p</i> ≈ (0.1 to 1.4) MPa as well as at <i>p</i> from (0.1 to 30) MPa and <i>T</i> = 298 K or, studying a mixture of naphthalene and toluene, <i>T</i> = 373 K. <i>D</i><sub>11</sub> and <i>a</i> were determined with average expanded experimental uncertainties (<i>k</i> = 2) of (13 and 8.0)% and their relationships to the molecular characteristics of the mixture components were analyzed. For <i>D</i><sub>11</sub>, dependencies on the molar mass, viscosity, and molecular structures such as branching, alkane (side) chain length, stereoisomerism, and aromatic or aliphatic rings of the mixture components were identified. Regarding <i>a</i>, only influences related to stereoisomerism as well as diphenylmethane, ortho-benzyltoluene, and their hydrogenated species were found. Additionally, the <i>T</i>-dependent <i>D</i><sub>11</sub> and <i>a</i> data were compared to corresponding data from the literature.","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"27 1","pages":""},"PeriodicalIF":2.694,"publicationDate":"2024-08-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142188017","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Density, Viscosity, Refractive Index, and Surface Tension of Binary Mixtures of 3-oxa-1,5-Pentanediol with 2-Propanol, 1,2,3-Propanetriol, and 1-Decanol from 283.15 to 403.15 K as Reference Systems for Evaporation Experiments 283.15 至 403.15 K 作为蒸发实验参考系的 3-氧杂-1,5-戊二醇与 2-丙醇、1,2,3-丙三醇和 1-癸醇二元混合物的密度、粘度、折射率和表面张力
IF 2.694 3区 工程技术
Journal of Chemical & Engineering Data Pub Date : 2024-08-29 DOI: 10.1021/acs.jced.4c00152
David Appelhaus, Fabian Claus, Sabine Knoblauch, Katharina Jasch, Stephan Scholl
{"title":"Density, Viscosity, Refractive Index, and Surface Tension of Binary Mixtures of 3-oxa-1,5-Pentanediol with 2-Propanol, 1,2,3-Propanetriol, and 1-Decanol from 283.15 to 403.15 K as Reference Systems for Evaporation Experiments","authors":"David Appelhaus, Fabian Claus, Sabine Knoblauch, Katharina Jasch, Stephan Scholl","doi":"10.1021/acs.jced.4c00152","DOIUrl":"https://doi.org/10.1021/acs.jced.4c00152","url":null,"abstract":"Thermophysical properties of potential reference systems for the characterization of evaporators, especially wiped film evaporators, are presented. Therefore, the binary mixtures of diethylene glycol (IUPAC: 3-oxa-1,5-pentanediol) with decan-1-ol, glycerol (IUPAC: 1,2,3-propanetriol) and isopropyl alcohol (IUPAC: 2-propanol) were considered. The refractive index at 293.15 K (589 nm) was measured using a refractrometer. The density was measured in a temperature range from 283.15 to 403.15 K depending on the boiling temperature of the fluids using an oscillating U-tube. The dynamic viscosity was determined in a temperature range from 283.15 to 403.15 K depending on the boiling temperature of the fluids using a kinematic viscometer based on a modified Couette measuring principle (Stabinger viscometer). The surface tension was measured in a temperature range from 293.15 to 363.15 K using the pendant drop method. The temperature dependence of the density, viscosity and surface tension of the pure components was described using standard literature models. The excess properties excess refractive index, excess molar volume, Δln(η/mPa·s)<sup><i>E</i></sup> and excess parachor were modeled using a temperature dependent Redlich–Kister approach.","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"44 1","pages":""},"PeriodicalIF":2.694,"publicationDate":"2024-08-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142188015","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Liquid–Liquid Equilibria in Mixtures of 2-Ethylhexanoic Acid, Ethanol, and Water 2- 乙基己酸、乙醇和水混合物中的液-液平衡
IF 2.694 3区 工程技术
Journal of Chemical & Engineering Data Pub Date : 2024-08-29 DOI: 10.1021/acs.jced.4c00345
Babette Kunstmann, Hans Hasse, Maximilian Kohns
{"title":"Liquid–Liquid Equilibria in Mixtures of 2-Ethylhexanoic Acid, Ethanol, and Water","authors":"Babette Kunstmann, Hans Hasse, Maximilian Kohns","doi":"10.1021/acs.jced.4c00345","DOIUrl":"https://doi.org/10.1021/acs.jced.4c00345","url":null,"abstract":"Mixtures of 2-ethylhexanoic acid (EHA), ethanol, and water are common constituents of precursor solutions for the spray flame synthesis of nanoparticles. As EHA and water are poorly miscible, the question arises whether phase separation can occur during the process. Since no experimental data on liquid–liquid equilibria (LLE) in mixtures of EHA, ethanol, and water are available in the literature, they were measured in the present work. Binary and ternary LLE were studied at temperatures between 283 and 333 K. A thermodynamic nonrandom two-liquid model (NRTL) was adjusted to the data from this work and to vapor–liquid equilibrium data from the literature. With this model, residue curves in the ternary system were calculated, which indicate that liquid–liquid demixing upon the evaporation of droplets in the spray flame synthesis process is unlikely.","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"8 1","pages":""},"PeriodicalIF":2.694,"publicationDate":"2024-08-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142188020","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Liquid–Liquid Equilibria in Mixtures of 2-Ethylhexanoic Acid, Ethanol, and Water 2- 乙基己酸、乙醇和水混合物中的液-液平衡
IF 2 3区 工程技术
Journal of Chemical & Engineering Data Pub Date : 2024-08-29 DOI: 10.1021/acs.jced.4c0034510.1021/acs.jced.4c00345
Babette Kunstmann, Hans Hasse and Maximilian Kohns*, 
{"title":"Liquid–Liquid Equilibria in Mixtures of 2-Ethylhexanoic Acid, Ethanol, and Water","authors":"Babette Kunstmann,&nbsp;Hans Hasse and Maximilian Kohns*,&nbsp;","doi":"10.1021/acs.jced.4c0034510.1021/acs.jced.4c00345","DOIUrl":"https://doi.org/10.1021/acs.jced.4c00345https://doi.org/10.1021/acs.jced.4c00345","url":null,"abstract":"<p >Mixtures of 2-ethylhexanoic acid (EHA), ethanol, and water are common constituents of precursor solutions for the spray flame synthesis of nanoparticles. As EHA and water are poorly miscible, the question arises whether phase separation can occur during the process. Since no experimental data on liquid–liquid equilibria (LLE) in mixtures of EHA, ethanol, and water are available in the literature, they were measured in the present work. Binary and ternary LLE were studied at temperatures between 283 and 333 K. A thermodynamic nonrandom two-liquid model (NRTL) was adjusted to the data from this work and to vapor–liquid equilibrium data from the literature. With this model, residue curves in the ternary system were calculated, which indicate that liquid–liquid demixing upon the evaporation of droplets in the spray flame synthesis process is unlikely.</p>","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"69 9","pages":"3111–3117 3111–3117"},"PeriodicalIF":2.0,"publicationDate":"2024-08-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142166907","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Isothermal Phase Equilibria of the CH4+CO2 Mixed-Gas Hydrate System for CO2 Capture and Storage in a Reservoir after CH4 Hydrate Exploitation 开采 CH4 水合物后在储层中捕获和封存 CO2 的 CH4+CO2 混合气体水合物系统的等温相平衡
IF 2 3区 工程技术
Journal of Chemical & Engineering Data Pub Date : 2024-08-29 DOI: 10.1021/acs.jced.4c0028810.1021/acs.jced.4c00288
Rintaro Miyatake, Takeshi Sugahara*, Tasuku Ishikawa, Motoi Oshima, Yusuke Jin and Takayuki Hirai, 
{"title":"Isothermal Phase Equilibria of the CH4+CO2 Mixed-Gas Hydrate System for CO2 Capture and Storage in a Reservoir after CH4 Hydrate Exploitation","authors":"Rintaro Miyatake,&nbsp;Takeshi Sugahara*,&nbsp;Tasuku Ishikawa,&nbsp;Motoi Oshima,&nbsp;Yusuke Jin and Takayuki Hirai,&nbsp;","doi":"10.1021/acs.jced.4c0028810.1021/acs.jced.4c00288","DOIUrl":"https://doi.org/10.1021/acs.jced.4c00288https://doi.org/10.1021/acs.jced.4c00288","url":null,"abstract":"<p >Isothermal phase equilibria of methane (CH<sub>4</sub>) + carbon dioxide (CO<sub>2</sub>) mixed-gas hydrate were investigated at 281.98, 284.17, 286.02, and 287.17 K for the carbon dioxide capture and storage (CCS) using gas hydrates in a reservoir after CH<sub>4</sub> hydrate exploitation. At temperatures higher than the upper quadruple point Q<sub>2</sub> (hydrate + aqueous + CO<sub>2</sub>-rich liquid + vapor phases) of pure CO<sub>2</sub> hydrate, the phase behavior in the CH<sub>4</sub> + CO<sub>2</sub> mixed-gas hydrate system becomes very complicated due to two characteristic behaviors. One is the four-phase coexistence curve of hydrate + aqueous + CO<sub>2</sub>-rich liquid + vapor phases in the CH<sub>4</sub> + CO<sub>2</sub> mixed-gas hydrate system, which originates from Q<sub>2</sub> and extends to the critical end point, where it intersects with the vapor–liquid critical locus of the CH<sub>4</sub> + CO<sub>2</sub> binary system. The other is the negative azeotropic-like retrograde (local pressure minimum) behavior observed at 286.02 and 287.17 K, where the equilibrium pressure of the CH<sub>4</sub> + CO<sub>2</sub> mixed-gas hydrate is lower than that of either pure CO<sub>2</sub> hydrate or pure CH<sub>4</sub> hydrate. When CO<sub>2</sub> is injected into a CH<sub>4</sub>-remaining reservoir after CH<sub>4</sub> hydrate exploitation, the CO<sub>2</sub> composition in the resulting in CH<sub>4</sub> + CO<sub>2</sub> mixed-gas hydrate phase can increase up to either compositions at the local pressure minimum point (if it exists) or the four-phase equilibrium point at sediment temperatures above Q<sub>2</sub> temperature.</p>","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"69 9","pages":"3210–3216 3210–3216"},"PeriodicalIF":2.0,"publicationDate":"2024-08-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142166947","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Fick Diffusion Coefficients and Thermal Diffusivities in Binary Liquid Mixtures Containing Alkanes and/or Cyclic Hydrocarbons by Using the Shadowgraph Method 利用阴影图法计算含烷烃和/或环烃类的二元液体混合物的菲克扩散系数和热扩散率
IF 2 3区 工程技术
Journal of Chemical & Engineering Data Pub Date : 2024-08-29 DOI: 10.1021/acs.jced.4c0029010.1021/acs.jced.4c00290
Patrick S. Schmidt, Xiaohan Huang and Andreas P. Fröba*, 
{"title":"Fick Diffusion Coefficients and Thermal Diffusivities in Binary Liquid Mixtures Containing Alkanes and/or Cyclic Hydrocarbons by Using the Shadowgraph Method","authors":"Patrick S. Schmidt,&nbsp;Xiaohan Huang and Andreas P. Fröba*,&nbsp;","doi":"10.1021/acs.jced.4c0029010.1021/acs.jced.4c00290","DOIUrl":"https://doi.org/10.1021/acs.jced.4c00290https://doi.org/10.1021/acs.jced.4c00290","url":null,"abstract":"<p >The present work reports Fick diffusion coefficients <i>D</i><sub>11</sub> and thermal diffusivities <i>a</i> of binary liquid mixtures containing <i>n</i>-heptane, 2,3-dimethylpentane, methylcyclohexane, toluene, <i>n</i>-decane, butylcyclohexane, butylbenzene, naphthalene, <i>cis</i>- or <i>trans</i>-decahydronaphthalene, 1,2,3,4-tetrahydronaphthalene, diphenylmethane, dicyclohexylmethane, ortho-benzyltoluene, or ortho-perhydrobenzyltoluene at equimolar composition determined by the shadowgraph method. Experiments were performed in the compressed liquid phase at temperatures <i>T</i> from (298 to 473) K and pressures <i>p</i> ≈ (0.1 to 1.4) MPa as well as at <i>p</i> from (0.1 to 30) MPa and <i>T</i> = 298 K or, studying a mixture of naphthalene and toluene, <i>T</i> = 373 K. <i>D</i><sub>11</sub> and <i>a</i> were determined with average expanded experimental uncertainties (<i>k</i> = 2) of (13 and 8.0)% and their relationships to the molecular characteristics of the mixture components were analyzed. For <i>D</i><sub>11</sub>, dependencies on the molar mass, viscosity, and molecular structures such as branching, alkane (side) chain length, stereoisomerism, and aromatic or aliphatic rings of the mixture components were identified. Regarding <i>a</i>, only influences related to stereoisomerism as well as diphenylmethane, ortho-benzyltoluene, and their hydrogenated species were found. Additionally, the <i>T</i>-dependent <i>D</i><sub>11</sub> and <i>a</i> data were compared to corresponding data from the literature.</p>","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"69 9","pages":"3001–3016 3001–3016"},"PeriodicalIF":2.0,"publicationDate":"2024-08-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142166906","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Isothermal Phase Equilibria of the CH4+CO2 Mixed-Gas Hydrate System for CO2 Capture and Storage in a Reservoir after CH4 Hydrate Exploitation 开采 CH4 水合物后在储层中捕获和封存 CO2 的 CH4+CO2 混合气体水合物系统的等温相平衡
IF 2.694 3区 工程技术
Journal of Chemical & Engineering Data Pub Date : 2024-08-29 DOI: 10.1021/acs.jced.4c00288
Rintaro Miyatake, Takeshi Sugahara, Tasuku Ishikawa, Motoi Oshima, Yusuke Jin, Takayuki Hirai
{"title":"Isothermal Phase Equilibria of the CH4+CO2 Mixed-Gas Hydrate System for CO2 Capture and Storage in a Reservoir after CH4 Hydrate Exploitation","authors":"Rintaro Miyatake, Takeshi Sugahara, Tasuku Ishikawa, Motoi Oshima, Yusuke Jin, Takayuki Hirai","doi":"10.1021/acs.jced.4c00288","DOIUrl":"https://doi.org/10.1021/acs.jced.4c00288","url":null,"abstract":"Isothermal phase equilibria of methane (CH<sub>4</sub>) + carbon dioxide (CO<sub>2</sub>) mixed-gas hydrate were investigated at 281.98, 284.17, 286.02, and 287.17 K for the carbon dioxide capture and storage (CCS) using gas hydrates in a reservoir after CH<sub>4</sub> hydrate exploitation. At temperatures higher than the upper quadruple point Q<sub>2</sub> (hydrate + aqueous + CO<sub>2</sub>-rich liquid + vapor phases) of pure CO<sub>2</sub> hydrate, the phase behavior in the CH<sub>4</sub> + CO<sub>2</sub> mixed-gas hydrate system becomes very complicated due to two characteristic behaviors. One is the four-phase coexistence curve of hydrate + aqueous + CO<sub>2</sub>-rich liquid + vapor phases in the CH<sub>4</sub> + CO<sub>2</sub> mixed-gas hydrate system, which originates from Q<sub>2</sub> and extends to the critical end point, where it intersects with the vapor–liquid critical locus of the CH<sub>4</sub> + CO<sub>2</sub> binary system. The other is the negative azeotropic-like retrograde (local pressure minimum) behavior observed at 286.02 and 287.17 K, where the equilibrium pressure of the CH<sub>4</sub> + CO<sub>2</sub> mixed-gas hydrate is lower than that of either pure CO<sub>2</sub> hydrate or pure CH<sub>4</sub> hydrate. When CO<sub>2</sub> is injected into a CH<sub>4</sub>-remaining reservoir after CH<sub>4</sub> hydrate exploitation, the CO<sub>2</sub> composition in the resulting in CH<sub>4</sub> + CO<sub>2</sub> mixed-gas hydrate phase can increase up to either compositions at the local pressure minimum point (if it exists) or the four-phase equilibrium point at sediment temperatures above Q<sub>2</sub> temperature.","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"5 1","pages":""},"PeriodicalIF":2.694,"publicationDate":"2024-08-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142188016","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Density, Viscosity, Refractive Index, and Surface Tension of Binary Mixtures of 3-oxa-1,5-Pentanediol with 2-Propanol, 1,2,3-Propanetriol, and 1-Decanol from 283.15 to 403.15 K as Reference Systems for Evaporation Experiments 283.15 至 403.15 K 作为蒸发实验参考系的 3-氧杂-1,5-戊二醇与 2-丙醇、1,2,3-丙三醇和 1-癸醇二元混合物的密度、粘度、折射率和表面张力
IF 2 3区 工程技术
Journal of Chemical & Engineering Data Pub Date : 2024-08-29 DOI: 10.1021/acs.jced.4c0015210.1021/acs.jced.4c00152
David Appelhaus*, Fabian Claus, Sabine Knoblauch, Katharina Jasch* and Stephan Scholl*, 
{"title":"Density, Viscosity, Refractive Index, and Surface Tension of Binary Mixtures of 3-oxa-1,5-Pentanediol with 2-Propanol, 1,2,3-Propanetriol, and 1-Decanol from 283.15 to 403.15 K as Reference Systems for Evaporation Experiments","authors":"David Appelhaus*,&nbsp;Fabian Claus,&nbsp;Sabine Knoblauch,&nbsp;Katharina Jasch* and Stephan Scholl*,&nbsp;","doi":"10.1021/acs.jced.4c0015210.1021/acs.jced.4c00152","DOIUrl":"https://doi.org/10.1021/acs.jced.4c00152https://doi.org/10.1021/acs.jced.4c00152","url":null,"abstract":"<p >Thermophysical properties of potential reference systems for the characterization of evaporators, especially wiped film evaporators, are presented. Therefore, the binary mixtures of diethylene glycol (IUPAC: 3-oxa-1,5-pentanediol) with decan-1-ol, glycerol (IUPAC: 1,2,3-propanetriol) and isopropyl alcohol (IUPAC: 2-propanol) were considered. The refractive index at 293.15 K (589 nm) was measured using a refractrometer. The density was measured in a temperature range from 283.15 to 403.15 K depending on the boiling temperature of the fluids using an oscillating U-tube. The dynamic viscosity was determined in a temperature range from 283.15 to 403.15 K depending on the boiling temperature of the fluids using a kinematic viscometer based on a modified Couette measuring principle (Stabinger viscometer). The surface tension was measured in a temperature range from 293.15 to 363.15 K using the pendant drop method. The temperature dependence of the density, viscosity and surface tension of the pure components was described using standard literature models. The excess properties excess refractive index, excess molar volume, Δln(η/mPa·s)<sup><i>E</i></sup> and excess parachor were modeled using a temperature dependent Redlich–Kister approach.</p>","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"69 9","pages":"2927–2948 2927–2948"},"PeriodicalIF":2.0,"publicationDate":"2024-08-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acs.jced.4c00152","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142166783","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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