Validity of the Rosenfeld relationship: A comparative study of the network forming NTW model and other simple liquids

A Banerjee and MK Nandi and SM Bhattacharyya, JOURNAL OF CHEMICAL SCIENCES, 129, 793-800 (2017).

DOI: 10.1007/s12039-017-1249-7

In this paper we explore the validity of the Rosenfeld and the Dzugutov relation for the Lennard-Jones (LJ) system, its repulsive counterpart, the WCA system and a network forming liquid, the NTW model. We find that for all the systems both the relations are valid at high temperature regime with an universal exponent close to 0.8. Similar to that observed for the simple liquids, the LJ and the WCA systems show a breakdown of the scaling laws at the low temperature regime. However for the NTW model, which is a simple liquid, these scaling laws are valid even at lower temperature regime similar to that found for ionic melts. Thus we find that the NTW model has mixed characteristics of simple liquids and ionic melts. Our study further reveals a quantitative relationship between the Rosenfeld and the Arrhenius relations. For strong liquids, the validity of the Rosenfeld relation in the low temperature regime is connected to it following the Arrhenius behaviour in that regime. Finally we explore the role of pair entropy and residual multiparticle entropy in the dynamics as a function of fragility of the systems.

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