Počet záznamů: 1
Vapor Pressures and Thermophysical Properties of Dimethoxymethane, 1,2-Dimethoxyethane, 2‑Methoxyethanol, and 2‑Ethoxyethanol: Data Reconciliation and Perturbed-Chain\nStatistical Associating Fluid Theory Modeling
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SYSNO ASEP 0559331 Druh ASEP J - Článek v odborném periodiku Zařazení RIV J - Článek v odborném periodiku Poddruh J Článek ve WOS Název Vapor Pressures and Thermophysical Properties of Dimethoxymethane, 1,2-Dimethoxyethane, 2‑Methoxyethanol, and 2‑Ethoxyethanol: Data Reconciliation and Perturbed-Chain
Statistical Associating Fluid Theory ModelingTvůrce(i) Pokorný, V. (CZ)
Štejfa, V. (CZ)
Pavlíček, Jan (UCHP-M) RID, SAI
Klajmon, M. (CZ)
Fulem, M. (CZ)
Růžička, K. (CZ)Zdroj.dok. Journal of Chemical and Engineering Data. - : American Chemical Society - ISSN 0021-9568
Roč. 66, č. 6 (2021), s. 2640-2654Poč.str. 15 s. Jazyk dok. eng - angličtina Země vyd. US - Spojené státy americké Klíč. slova binary-liquid mixtures ; molar heat-capacities ; equation-of-state Obor OECD Physical chemistry Způsob publikování Omezený přístup Institucionální podpora UCHP-M - RVO:67985858 UT WOS 000662181900030 DOI 10.1021/acs.jced.1c00229 Anotace As a continuation of our effort to establish reliable thermodynamic data for important industrial solvents, dimethoxymethane (CAS RN: 109-87-5), 1,2-dimethoxyethane (CAS RN: 110-71-4), 2-methoxyethanol (CAS RN: 109-86-4), and 2-ethoxyethanol (CAS RN: 110-80-5) were studied. Vapor pressure was measured by ebulliometry for dimethoxymethane and by static method for 1,2-dimethoxyethane, 2-methoxyethanol, and 2-ethoxyethanol. Heat capacities in the liquid phase of all four compounds were measured by Tian-Calvet calorimetry in the temperature interval (262-358) K. In the case of dimethoxymethane and 1,2-dimethoxyethane, this interval was shortened because of their volatility. The thermodynamic properties in the ideal gaseous state were calculated using the methods of statistical thermodynamics based on calculated fundamental vibrational frequencies and molecular structure data. Calculated ideal-gas heat capacities and experimental data on vapor pressures, liquid phase heat capacities, and vaporization enthalpies were treated simultaneously to obtain a consistent thermodynamic description. Comparisons with literature values are shown for all measured and derived properties. Furthermore, the developed recommended data were used to identify new molecular parameters for the studied solvents within the PC-SAFT (perturbed-chain statistical associating fluid theory) equation of state and to compare their performance with those published in earlier papers, improved performance of the new parameters was achieved. Pracoviště Ústav chemických procesů Kontakt Eva Jirsová, jirsova@icpf.cas.cz, Tel.: 220 390 227 Rok sběru 2023 Elektronická adresa https://hdl.handle.net/11104/0332660
Počet záznamů: 1