The Glass Transition Within the Thermodynamics of Irreversible Processes

On the Theory of Relaxation in the Glass Transition Region

To begin with, relaxation equations will be generally examined within the framework of the thermodynamics of irreversible processes. The relaxation in the glass transition region specifically proves to be a non-linear process which resembles an accelerated or retarded autocatalytic reaction. Therefore it is physically not very useful to split the relaxation in the glass transition region into a...

Temperature of systems out of thermodynamic equilibrium.

Two phenomenological approaches are currently used in the study of the vitreous state. One is based on the concept of fictive temperature introduced by Tool [J. Res. Natl. Bur. Stand. 34, 199 (1945)] and recently revisited by Nieuwenhuizen [Phys. Rev. Lett. 80, 5580 (1998)]. The other is based on the thermodynamics of irreversible processes initiated by De Donder at the beginning of the last ce...

Thermodynamics and Kinetics of Spiro-Heterocycle Formation Mechanism: Computational Study

Reaction mechanism among indoline-2,3-dione, pyrrolidine-2-carboxylic acid and (Z)-2-(1-(2-hydroxynaphthalen-1-yl)ethylidene)hydroxycarboxamide to form 1’-((((aminooxy)carbonyl)amino)methyl)-2’-(1-hydroxynaphthalen-2-yl)-2’-methyl-1’,2’,5’,6’,7’,7a’-hexahydrospiro[indoline-3,3’-pyrrolo[1,2-a]imidazole-2-one was investigated using density functional theory (DFT) at B3LYP basis theory. The three-...

Calorimetric glass transition explained by hierarchical dynamic facilitation

The glass transition refers to the nonequilibrium process by which an equilibrium liquid is transformed to a nonequilibrium disordered solid, or vice versa. Associated response functions, such as heat capacities, are markedly different on cooling than on heating, and the response to melting a glass depends markedly on the cooling protocol by which the glass was formed. This paper shows how this...

"Thermodynamic aspects of disordering processes in network and molecular glassformers, as distinct from the glass transition"