Regression against Temperature of Gas-Liquid Chromatography Retention Factors. Van't Hoff Analysis
Identifikátory výsledku
Kód výsledku v IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60461373%3A22340%2F20%3A43921039" target="_blank" >RIV/60461373:22340/20:43921039 - isvavai.cz</a>
Nalezeny alternativní kódy
RIV/61388963:_____/20:00525141
Výsledek na webu
<a href="https://pubs.acs.org/doi/10.1021/acs.jced.0c00119" target="_blank" >https://pubs.acs.org/doi/10.1021/acs.jced.0c00119</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1021/acs.jced.0c00119" target="_blank" >10.1021/acs.jced.0c00119</a>
Alternativní jazyky
Jazyk výsledku
angličtina
Název v původním jazyce
Regression against Temperature of Gas-Liquid Chromatography Retention Factors. Van't Hoff Analysis
Popis výsledku v původním jazyce
The present work deals with the precise experimental determination of the gas-liquid chromatography (GLC) retention factors (k) in a sufficiently large temperature range to allow the calculation of the thermodynamic quantities associated with the sorption process. Once isothermal retention factors of three homologous series members of the type H-(CH2)n-Y (Y = CH3, OH, CN) were measured over a temperature range of about 110 K on a low-polar PDMS (HP-1) capillary column and checked for accuracy and precision by "arc plot"representation, the data were analyzed by applying different forms of the van't Hoff relationship. We compared the linear versus nonlinear van’t Hoff plots representing situations characterized by ΔsolvCp° = 0, ΔsolvCp°≠ 0 = constant, and ΔsolvCp° = f(T), respectively (ΔsolvCp° represents the difference in isobaric heat capacity associated with movement of the analyte between the mobile and the stationary phase). The "logarithmic"and "quadratic"nonlinear van't Hoff equations were shown to be more appropriate than the linear van't Hoff equation for determining enthalpy and entropy of solvation. Special attention was devoted to the fitting performance and extrapolation capability of models with nonzero ΔsolvCp°. By several metrics, the quadratic model exhibits better behavior in extrapolations yielding reasonable accuracy for retention time and/or enthalpy of solvation predictions at temperatures located below the experimental range. © 2020 American Chemical Society.
Název v anglickém jazyce
Regression against Temperature of Gas-Liquid Chromatography Retention Factors. Van't Hoff Analysis
Popis výsledku anglicky
The present work deals with the precise experimental determination of the gas-liquid chromatography (GLC) retention factors (k) in a sufficiently large temperature range to allow the calculation of the thermodynamic quantities associated with the sorption process. Once isothermal retention factors of three homologous series members of the type H-(CH2)n-Y (Y = CH3, OH, CN) were measured over a temperature range of about 110 K on a low-polar PDMS (HP-1) capillary column and checked for accuracy and precision by "arc plot"representation, the data were analyzed by applying different forms of the van't Hoff relationship. We compared the linear versus nonlinear van’t Hoff plots representing situations characterized by ΔsolvCp° = 0, ΔsolvCp°≠ 0 = constant, and ΔsolvCp° = f(T), respectively (ΔsolvCp° represents the difference in isobaric heat capacity associated with movement of the analyte between the mobile and the stationary phase). The "logarithmic"and "quadratic"nonlinear van't Hoff equations were shown to be more appropriate than the linear van't Hoff equation for determining enthalpy and entropy of solvation. Special attention was devoted to the fitting performance and extrapolation capability of models with nonzero ΔsolvCp°. By several metrics, the quadratic model exhibits better behavior in extrapolations yielding reasonable accuracy for retention time and/or enthalpy of solvation predictions at temperatures located below the experimental range. © 2020 American Chemical Society.
Klasifikace
Druh
J<sub>imp</sub> - Článek v periodiku v databázi Web of Science
CEP obor
—
OECD FORD obor
10403 - Physical chemistry
Návaznosti výsledku
Projekt
<a href="/cs/project/GA19-02889S" target="_blank" >GA19-02889S: Stabilita amorfních pevných disperzí: Predikce pomocí stavových rovnic SAFT a jejich experimentální ověření</a><br>
Návaznosti
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)
Ostatní
Rok uplatnění
2020
Kód důvěrnosti údajů
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Údaje specifické pro druh výsledku
Název periodika
Journal of Chemical Engineering Data
ISSN
0021-9568
e-ISSN
—
Svazek periodika
65
Číslo periodika v rámci svazku
6
Stát vydavatele periodika
US - Spojené státy americké
Počet stran výsledku
12
Strana od-do
3109-3120
Kód UT WoS článku
000541740100020
EID výsledku v databázi Scopus
2-s2.0-85085888322