Metastability and polymorphism in dihydroxybenzenes – implications for thermal energy storage

Abstract

State-of-the-art calorimetric techniques have been used to explore the effects of molecular isomerism on the phase behaviour of the three dihydroxybenzenes catechol, resorcinol, and hydroquinone. Within the broader remit of the search and rational design of phase-change materials for thermal-energy storage, these data reveal a surprisingly rich (and hitherto unappreciated) behaviour, ranging from an unavoidable propensity to crystallize (hydroquinone) to the emergence of both disordered and ordered metastable phases well below the range of stability of the normal liquid (resorcinol and catechol). Catechol exhibits the most complex thermophysical response, and ab initio calculations evince a subtle interplay between intramolecular and intermolecular interactions, ultimately leading to the formation of new crystal phases.

Publication
Energy Adv., 2024,3, 413-418
Tomas Stephen Northam de la Fuente
Tomas Stephen Northam de la Fuente
Post doctoral researcher

Postdoc at the Materials Physics Center, Donostia.

Mattia Gaboardi
Mattia Gaboardi
Post doctoral researcher

Postdoc at the Materials Physics Center, Donostia.

Kalith Mohamed Ismail Syed Sulaiman
Kalith Mohamed Ismail Syed Sulaiman
PhD candidate

PhD candidate at the Materials Physics Center, Donostia - San Sebastián.

Pedro B. Coto
Pedro B. Coto
CSIC Tenured Research Scientist

CSIC Tenured Research Scientist at the CSIC.

Felix Fernandez-Alonso
Felix Fernandez-Alonso
Ikerbasque Research Professor

Ikerbasque Research Professor at the Materials Physics Center, Donostia - San Sebastián.