Relationship between structure, entropy, and mobility in network-forming ionic melts

Agarwal, Manish; Chakravarty, Charusita

doi:10.1103/physreve.79.030202

Cited by 53 publications

(69 citation statements)

References 33 publications

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“…On the other hand, similar to that found for ionic melts 8 the Rosenfeld relationship for the NTW model is valid upto a much lower temperature. However, the Rosenfeld exponent at high temperature appears to be similar to that found for simple liquids which is different from the value obtained for the ionic melts 8 . Thus our result shows that the NTW model has mixed characteristics of simple liquids and ionic melts.…”

Section: Introductionmentioning

confidence: 48%

“…For most of the systems like simple liquids and water the scaling breaks down in the low temperature regime. For ionic liquids, the Rosenfeld relationship is found to be valid up to much lower temperature and the value of the Rosenfeld exponents are different from that found for simple liquids 8 . The ionic melts are known to be network forming liquids.…”

Section: Introductionmentioning

confidence: 90%

“…The Rosenfeld scaling relation is found to be valid for a wide variety of liquids including simple liquids 4 , water 22 , ionic melts 5,6,8 , model polymeric melts 3 and even for the data obtained in different experiments [23][24][25] . However the Rosenfeld behaviour is not same for all the systems.…”

Section: Introductionmentioning

confidence: 99%

“…Recently Coslovich and Pastore have proposed a new model of a simple liquid (NTW model) which mimics the properties like the structure and the dynamics of the network forming liquids 26,27 . Since earlier studies have reported the Rosenfeld behaviour to be different for simple and network forming liquids 7,8 , it will be interestingly to investigate the Rosenfeld scaling of the NTW model.…”

Section: Introductionmentioning

confidence: 99%

“…A semi-quantitative relation between dynamical properties like diffusivity or relaxation times and the thermodynamics has been proposed by Rosenfeld 1,2 and recently it has been extensively studied for different systems [3][4][5][6][7][8][9] . The relationship suggests that the fluid should follow X * = C exp[−KS ex ], where X * is the dimensionless dynamical quantity and S ex is excess entropy which is the difference between the total thermodynamic entropy (S tot ) and the corresponding ideal gas entropy (S id ) at the same temperature (T ) and density (ρ).…”

Section: Introductionmentioning

confidence: 99%

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

2017

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Abstract. In this paper we explore the validity of the Rosenfeld and the Dzugutov relation for the LennardJones (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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Section: Introductionmentioning

confidence: 48%

Section: Introductionmentioning

confidence: 90%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 3 more Smart Citations

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

2017

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Water‐Like Anomalies of Core‐Softened Fluids: Dependence on the Trajectories in ( PρT ) Space

Fomin

Ryzhov

2013

Liquid Polymorphism

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In the present article we carry out a molecular dynamics study of the core-softened system and show that the existence of the water-like anomalies in this system depends on the trajectory in P − ρ − T space along which the behavior of the system is studied. For example, diffusion and structural anomalies are visible along isotherms, but disappears along the isochores and isobars, while density anomaly exists along isochors. We analyze the applicability of the Rosenfeld entropy scaling relations to this system in the regions with the water-like anomalies. It is shown that the validity of the of Rosenfeld scaling relation for the diffusion coefficient also depends on the trajectory in the P − ρ − T space along which the kinetic coefficients and the excess entropy are calculated.

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The Rise and Fall of Anomalies in Tetrahedral Liquids

et al. 2011

Self Cite

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Abstract. The thermodynamic liquid-state anomalies and associated structural changes of the Stillinger-Weber family of liquids are mapped out as a function of the degree of tetrahedrality of the interaction potential, focusing in particular on tetrahedrality values suitable for modeling C, H2O, Si, Ge and Sn. We show that the density anomaly, associated with a rise in molar volume on isobaric cooling, emerges at intermediate tetrahedralities (e.g. Ge, Si and H2O) but is absent in the low (e.g. Sn) and high (e.g. C) tetrahedrality liquids. The rise in entropy on isothermal compression associated with the density anomaly is related to the structural changes in the liquid using the pair correlation entropy. An anomalous increase in the heat capacity on isobaric cooling exists at high tetrahedralities but is absent at low tetrahedralities (e.g. Sn). Structurally, this heat capacity anomaly originates in a sharp rise in the fraction of four-coordinated particles and local tetrahedral order in the liquid as its structure approaches that of the tetrahedral crystal.

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Relationship between structure, entropy, and mobility in network-forming ionic melts

Cited by 53 publications

References 33 publications

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

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

Water‐Like Anomalies of Core‐Softened Fluids: Dependence on the Trajectories in ( PρT ) Space

The Rise and Fall of Anomalies in Tetrahedral Liquids

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