Barocaloric effect in neopentylglycol plastic crystal: A theoretical study. (1st March 2023)

• Record Type: Journal Article
• Authors: de Oliveira, N.A.
• Is Part Of: Acta materialia. Volume 246(2023)
• Publication Date: 2023-03-01
• Subjects: Barocaloric effect -- Plastic crystals -- Phase transition -- Thermal effects -- Thermodynamic modeling; Materials -- Periodicals; Materials science -- Periodicals; Materials -- Mechanical properties -- Periodicals; Metallurgy -- Periodicals; Chemistry, Inorganic -- Periodicals; 620.112
• DOI: 10.1016/j.actamat.2022.118657
• Languages: English
• ISSNs: 1359-6454

Abstract

Abstract: In this paper, we theoretically discuss the entropy changes and the barocaloric effect in neopentylglycol plastic crystal. For this purpose, we use a microscopical model Hamiltonian in which are included the rotational and vibrational motions of the molecules in the lattice. The theoretically calculated isobaric entropy and the barocaloric quantities Δ S i s o and Δ T a d are in reasonable agreement with the experimental observations. Graphical abstract: