Vapor Pressure of 4-Ethylmorpholine Revisited: Thermodynamically Consistent Vapor Pressure Equation

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60461373%3A22340%2F19%3A43918097" target="_blank" >RIV/60461373:22340/19:43918097 - isvavai.cz</a>

Výsledek na webu

<a href="https://pubs.acs.org/doi/10.1021/acs.jced.8b01159" target="_blank" >https://pubs.acs.org/doi/10.1021/acs.jced.8b01159</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1021/acs.jced.8b01159" target="_blank" >10.1021/acs.jced.8b01159</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Vapor Pressure of 4-Ethylmorpholine Revisited: Thermodynamically Consistent Vapor Pressure Equation

Popis výsledku v původním jazyce

A combined experimental and computational thermodynamic study of 4-ethylmorpholine was undertaken in this work to resolve large discrepancies between the two vapor pressure data sets reported in the literature. As no thermodynamic tests were capable of revealing which of the published data sets are in error, new vapor pressure measurements by the static method and determination of liquid-phase heat capacities by Tian-Calvet calorimetry were carried out in this work. Ideal-gas heat capacities, an indispensable input for testing the thermodynamic consistency of vapor pressures, were obtained by combining statistical thermodynamics and quantum chemical calculations. Although the vapor pressure determined in this work was found to be in reasonable agreement with one data set published previously (deviations within 10%), both literature data sets show significant inconsistencies with heat capacity data. Therefore, the recommended vapor pressure equation for 4-ethylmorpholine was developed solely based on the vapor pressure and heat capacity data obtained in this work, which were treated simultaneously to ensure a thermodynamically consistent description of vapor pressure in the temperature range 243-298 K with the estimated expanded (k = 2) uncertainty of 0.5%. © 2019 American Chemical Society.

Název v anglickém jazyce

Vapor Pressure of 4-Ethylmorpholine Revisited: Thermodynamically Consistent Vapor Pressure Equation

Popis výsledku anglicky

A combined experimental and computational thermodynamic study of 4-ethylmorpholine was undertaken in this work to resolve large discrepancies between the two vapor pressure data sets reported in the literature. As no thermodynamic tests were capable of revealing which of the published data sets are in error, new vapor pressure measurements by the static method and determination of liquid-phase heat capacities by Tian-Calvet calorimetry were carried out in this work. Ideal-gas heat capacities, an indispensable input for testing the thermodynamic consistency of vapor pressures, were obtained by combining statistical thermodynamics and quantum chemical calculations. Although the vapor pressure determined in this work was found to be in reasonable agreement with one data set published previously (deviations within 10%), both literature data sets show significant inconsistencies with heat capacity data. Therefore, the recommended vapor pressure equation for 4-ethylmorpholine was developed solely based on the vapor pressure and heat capacity data obtained in this work, which were treated simultaneously to ensure a thermodynamically consistent description of vapor pressure in the temperature range 243-298 K with the estimated expanded (k = 2) uncertainty of 0.5%. © 2019 American Chemical Society.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10403 - Physical chemistry

Projekt

<a href="/cs/project/GA17-03875S" target="_blank" >GA17-03875S: Teoretická a experimentální studie termodynamických vlastností a fázového chování molekulárních krystalů</a><br>

Návaznosti

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Rok uplatnění

2019

Kód důvěrnosti údajů

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

Název periodika

Journal of Chemical Engineering Data

ISSN

0021-9568

e-ISSN

—

Svazek periodika

64

Číslo periodika v rámci svazku

4

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

6

Strana od-do

1605-1610

Kód UT WoS článku

000464768500030

EID výsledku v databázi Scopus

2-s2.0-85064339696