A comprehensive study of the heat capacity of CsF from T=5 K to T=1400 K

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60461373%3A22310%2F13%3A43897130" target="_blank" >RIV/60461373:22310/13:43897130 - isvavai.cz</a>

Nalezeny alternativní kódy

RIV/60461373:22340/13:43897130

Výsledek na webu

<a href="http://dx.doi.org/10.1016/j.jct.2012.08.003" target="_blank" >http://dx.doi.org/10.1016/j.jct.2012.08.003</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1016/j.jct.2012.08.003" target="_blank" >10.1016/j.jct.2012.08.003</a>

Jazyk výsledku

angličtina

Název v původním jazyce

A comprehensive study of the heat capacity of CsF from T=5 K to T=1400 K

Popis výsledku v původním jazyce

In this study, we present new experimental heat capacity data of solid and liquid phase of CsF covering the temperature range from 5 K to 1400 K. The low temperature data were obtained by adiabatic calorimetry and compared with the theoretical heat capacity computed from ab initio harmonic crystal approximation. The absolute entropy at T = 298.15 K determined based on the presented results is 93: 60 J . K-1 . mol(-1). The high temperature heat capacity was measured using a drop calorimeter and the datafor the solid phase revealed significant excess properties. The data for the liquid phase were correlated with the molecular dynamic simulation obtaining a good agreement. The recommended molar heat capacity of the CsF solid phase is: C-p,C-m (J . K-1 .mol(-1)) 24.291 + 6.4607 . 10(-2) . (T/K) + 589981 . (T/K)(-2) J . K-1 . mol(-1) and the one of the liquid phase was determined as: C-p,C-m 70.56 J . K-1 . mol(-1). From the calorimetric results the enthalpy of fusion of CsF was determined

Název v anglickém jazyce

A comprehensive study of the heat capacity of CsF from T=5 K to T=1400 K

Popis výsledku anglicky

In this study, we present new experimental heat capacity data of solid and liquid phase of CsF covering the temperature range from 5 K to 1400 K. The low temperature data were obtained by adiabatic calorimetry and compared with the theoretical heat capacity computed from ab initio harmonic crystal approximation. The absolute entropy at T = 298.15 K determined based on the presented results is 93: 60 J . K-1 . mol(-1). The high temperature heat capacity was measured using a drop calorimeter and the datafor the solid phase revealed significant excess properties. The data for the liquid phase were correlated with the molecular dynamic simulation obtaining a good agreement. The recommended molar heat capacity of the CsF solid phase is: C-p,C-m (J . K-1 .mol(-1)) 24.291 + 6.4607 . 10(-2) . (T/K) + 589981 . (T/K)(-2) J . K-1 . mol(-1) and the one of the liquid phase was determined as: C-p,C-m 70.56 J . K-1 . mol(-1). From the calorimetric results the enthalpy of fusion of CsF was determined

Druh

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

CEP obor

CA - Anorganická chemie

OECD FORD obor

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Projekt

—

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2013

Kód důvěrnosti údajů

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

Název periodika

Journal of Chemical Thermodynamics

ISSN

0021-9614

e-ISSN

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Svazek periodika

57

Číslo periodika v rámci svazku

pp. 1-558

Stát vydavatele periodika

GB - Spojené království Velké Británie a Severního Irska

Počet stran výsledku

9

Strana od-do

92-100

Kód UT WoS článku

000311429700014

EID výsledku v databázi Scopus

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