Comparative study of elastic properties of some inorganic and organic molecular crystals from EOS

In the present work we have perform a comparative study of structural and elastic properties of some inorganic and organic molecular crystals viz. Realgar As 4 S 4 , As 4 S 3 , C 14 H 10 (anthracene), C 10 H 8 (naphthalene). For theoretical prediction, four different EOSs have been used viz. modifie...

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Bibliographic Details
Published inJournal of mathematical chemistry Vol. 62; no. 2; pp. 522 - 533
Main Authors Srivastava, Shivam, Pandey, Anjani K., Dixit, Chandra K.
Format Journal Article
LanguageEnglish
Published Cham Springer International Publishing 01.02.2024
Springer Nature B.V
Subjects
Anthracene
Chemistry
Chemistry and Materials Science
Comparative studies
Elastic properties
Gruneisen parameter
Math. Applications in Chemistry
Naphthalene
Organic chemistry
Original Paper
Physical Chemistry
Theoretical and Computational Chemistry
Grüneisen parameter
Inorganic and organic molecular crystals
Bulk modulus
High pressure
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Summary:In the present work we have perform a comparative study of structural and elastic properties of some inorganic and organic molecular crystals viz. Realgar As 4 S 4 , As 4 S 3 , C 14 H 10 (anthracene), C 10 H 8 (naphthalene). For theoretical prediction, four different EOSs have been used viz. modified Lenard-Jones EOS (M-L Jones EOS), Brennan-Stacey EOS, Hamma—Suito EOS and Thomsen EOS. Further, we have checked the applicability of these EOSs for calculation of Grüneisen parameter at different compressions. Experimental data and theoretical facts give the validity of our work.
ISSN:0259-9791
1572-8897
DOI:10.1007/s10910-023-01546-9