Literature DB >> 22830715

Thermodynamic scaling of α-relaxation time and viscosity stems from the Johari-Goldstein β-relaxation or the primitive relaxation of the coupling model.

K L Ngai1, J Habasaki, D Prevosto, S Capaccioli, Marian Paluch.   

Abstract

By now it is well established that the structural α-relaxation time, τ(α), of non-associated small molecular and polymeric glass-formers obey thermodynamic scaling. In other words, τ(α) is a function Φ of the product variable, ρ(γ)/T, where ρ is the density and T the temperature. The constant γ as well as the function, τ(α) = Φ(ρ(γ)/T), is material dependent. Actually this dependence of τ(α) on ρ(γ)/T originates from the dependence on the same product variable of the Johari-Goldstein β-relaxation time, τ(β), or the primitive relaxation time, τ(0), of the coupling model. To support this assertion, we give evidences from various sources itemized as follows. (1) The invariance of the relation between τ(α) and τ(β) or τ(0) to widely different combinations of pressure and temperature. (2) Experimental dielectric and viscosity data of glass-forming van der Waals liquids and polymer. (3) Molecular dynamics simulations of binary Lennard-Jones (LJ) models, the Lewis-Wahnström model of ortho-terphenyl, 1,4 polybutadiene, a room temperature ionic liquid, 1-ethyl-3-methylimidazolium nitrate, and a molten salt 2Ca(NO(3))(2)·3KNO(3) (CKN). (4) Both diffusivity and structural relaxation time, as well as the breakdown of Stokes-Einstein relation in CKN obey thermodynamic scaling by ρ(γ)/T with the same γ. (5) In polymers, the chain normal mode relaxation time, τ(N), is another function of ρ(γ)/T with the same γ as segmental relaxation time τ(α). (6) While the data of τ(α) from simulations for the full LJ binary mixture obey very well the thermodynamic scaling, it is strongly violated when the LJ interaction potential is truncated beyond typical inter-particle distance, although in both cases the repulsive pair potentials coincide for some distances.

Entities:  

Year:  2012        PMID: 22830715     DOI: 10.1063/1.4736547

Source DB:  PubMed          Journal:  J Chem Phys        ISSN: 0021-9606            Impact factor:   3.488


  2 in total

1.  Molecular dynamics and the translational-rotational coupling of an ionically conducting glass-former: amlodipine besylate.

Authors:  Safna Hussan K P; Mohamed Shahin Thayyil; S K Deshpande; Jinitha T V; Manoj K; K L Ngai
Journal:  RSC Adv       Date:  2018-06-06       Impact factor: 4.036

2.  Thermodynamic Scaling of the Dynamics of a Strongly Hydrogen-Bonded Glass-Former.

Authors:  Michela Romanini; María Barrio; Roberto Macovez; María D Ruiz-Martin; Simone Capaccioli; Josep Ll Tamarit
Journal:  Sci Rep       Date:  2017-05-02       Impact factor: 4.379

  2 in total

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