Odhad výparných entalpií a výparných entropií čistých organických látek při teplotě 25 °C a normální teplotě varu příspěvkovou metodou.

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F44555601%3A13440%2F05%3A00003035" target="_blank" >RIV/44555601:13440/05:00003035 - isvavai.cz</a>

Výsledek na webu

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DOI - Digital Object Identifier

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Jazyk výsledku

angličtina

Název v původním jazyce

Estimation of the Enthalpy of Vaporization and the Entropy of Vaporization for Pure Organic Compounds at 298.15 K and at Normal Boiling Temperature by a Group Contribution Method

Popis výsledku v původním jazyce

A new group contribution method for estimating the enthalpy of vaporization at 298.15 K (dHV(298.15 K)) and at the normal boiling temperature (dHV(Tb)), as well as the entropy of vaporization at the normal boiling temperature (dSV(Tb)), of pure organic compounds has been developed. Large databases of critically assessed data have been used for group contribution calculations: data for 831 compounds have been used for estimations at 298.15 K, and data for 589 compounds have been used for estimations at the normal boiling temperature. Values obtained by the method developed here have been compared with estimations by the Ducros, Chickos, and Ma and Zhao group contribution methods and by empirical equations by Vetere. A statistical analysis of the regressed data has been also performed, indicating the confidence of the regressed parameters and other related information. The average relative errors (ARE) for the new method are as follows: for &#162;HV(298.15 K), 2.2%; for &#162;HV(Tb), 2.6

Název v anglickém jazyce

Estimation of the Enthalpy of Vaporization and the Entropy of Vaporization for Pure Organic Compounds at 298.15 K and at Normal Boiling Temperature by a Group Contribution Method

Popis výsledku anglicky

A new group contribution method for estimating the enthalpy of vaporization at 298.15 K (dHV(298.15 K)) and at the normal boiling temperature (dHV(Tb)), as well as the entropy of vaporization at the normal boiling temperature (dSV(Tb)), of pure organic compounds has been developed. Large databases of critically assessed data have been used for group contribution calculations: data for 831 compounds have been used for estimations at 298.15 K, and data for 589 compounds have been used for estimations at the normal boiling temperature. Values obtained by the method developed here have been compared with estimations by the Ducros, Chickos, and Ma and Zhao group contribution methods and by empirical equations by Vetere. A statistical analysis of the regressed data has been also performed, indicating the confidence of the regressed parameters and other related information. The average relative errors (ARE) for the new method are as follows: for &#162;HV(298.15 K), 2.2%; for &#162;HV(Tb), 2.6

Druh

J_x - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)

CEP obor

CF - Fyzikální chemie a teoretická chemie

OECD FORD obor

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Projekt

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Návaznosti

S - Specificky vyzkum na vysokych skolach

Rok uplatnění

2005

Kód důvěrnosti údajů

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

Název periodika

Industrial and Engineering Chemistry Research

ISSN

0888-5885

e-ISSN

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Svazek periodika

44

Číslo periodika v rámci svazku

22

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

19

Strana od-do

8436-8454

Kód UT WoS článku

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EID výsledku v databázi Scopus

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