Measurement of thermodynamic functions of solid phase for DD, DF, OCDD and OCDF, and estimation of thermodynamic functions of gas phase for PCDD/Fs using molecular orbital method with density functional theory

Materials Transactions

Volumn 42, Issue 12, 2001, Pages 2531-2536

  Shibata, Etsuro ^a   Yamamoto, Satoru ^a   Koyo, Hirotaka ^a   Ikeda, Takashi ^a   Kasai, Eiki ^a   Maeda, Masafumi ^a   Nakamura, Takashi ^a  

^a TOHOKU UNIVERSITY   (Japan)

Author keywords

Density functional theory; Differential scanning calorimeter; Molecular orbital method; Polychlorinated dibenzo p dioxins; Polychlorinated dibenzofurans; Thermodynamic function

Indexed keywords

CALORIMETERS; DIFFERENTIAL SCANNING CALORIMETRY; ENTHALPY; ENTROPY; MELTING; PROBABILITY DENSITY FUNCTION; THERMODYNAMICS;

MOLECULAR ORBITAL METHOD; THERMODYNAMIC FUNCTIONS;

SPECIFIC HEAT OF SOLIDS;

EID: 0035717263     PISSN: 13459678     EISSN: None     Source Type: Journal    
DOI: 10.2320/matertrans.42.2531     Document Type: Article

References (8)