Vapor Pressures and Thermophysical Properties of Dimethoxymethane, 1,2-Dimethoxyethane, 2‑Methoxyethanol, and 2‑Ethoxyethanol: Data Reconciliation and Perturbed-ChainnStatistical Associating Fluid Theory Modeling

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F67985858%3A_____%2F21%3A00559331" target="_blank" >RIV/67985858:_____/21:00559331 - isvavai.cz</a>

Výsledek na webu

<a href="https://hdl.handle.net/11104/0332660" target="_blank" >https://hdl.handle.net/11104/0332660</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1021/acs.jced.1c00229" target="_blank" >10.1021/acs.jced.1c00229</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Vapor Pressures and Thermophysical Properties of Dimethoxymethane, 1,2-Dimethoxyethane, 2‑Methoxyethanol, and 2‑Ethoxyethanol: Data Reconciliation and Perturbed-ChainnStatistical Associating Fluid Theory Modeling

Popis výsledku v původním jazyce

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.

Název v anglickém jazyce

Vapor Pressures and Thermophysical Properties of Dimethoxymethane, 1,2-Dimethoxyethane, 2‑Methoxyethanol, and 2‑Ethoxyethanol: Data Reconciliation and Perturbed-ChainnStatistical Associating Fluid Theory Modeling

Popis výsledku anglicky

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.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

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OECD FORD obor

10403 - Physical chemistry

Projekt

—

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2021

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Journal of Chemical and Engineering Data

ISSN

0021-9568

e-ISSN

1520-5134

Svazek periodika

66

Číslo periodika v rámci svazku

6

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

15

Strana od-do

2640-2654

Kód UT WoS článku

000662181900030

EID výsledku v databázi Scopus

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