Subcritical and supercritical thermodynamic geometry of Mie fluids

Jaramillo-Gutiérrez, Jaime; López-Picón, J.L.; Torres-Arenas, J.

doi:10.1016/j.molliq.2021.118395

Cited by 7 publications

(2 citation statements)

References 35 publications

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“…A complete disappearance of both high-frequency transverse phonon excitations in the harmonic approximation (α = 0, ω F = ω D , c V = 2 k B , see eq ) and medium-range order pair correlations is the manifestation of the new thermodynamic boundary (see Figure ) on the pressure–temperature phase diagram, dubbed the Frenkel line . Direct, compelling experimental evidence for the new thermodynamic boundary demarcating liquid-like and gas-like subdomains of the supercritical statea single state, , rather than the previously erroneously assumed two states of matterwas achieved through static compression X-ray diffraction and IXS in a diamond anvil cell on deeply supercritical argon. , As a result, this experimental evidence has stimulated much interest in studying a myriad of thermodynamic, structural, and dynamic properties of supercritical state in the vicinity of the Frenkel line and beyond. − …”

Section: Mind the Phonon Gapsmentioning

confidence: 99%

The Phonon Theory of Liquids and Biological Fluids: Developments and Applications

Bolmatov

2022

J. Phys. Chem. Lett.

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Among the three basic states of matter (solid, liquid, and gas), the liquid state has always eluded general theoretical approaches for describing liquid energy and heat capacity. In this Viewpoint, we derive the phonon theory of liquids and biological fluids stemming from Frenkel’s microscopic picture of the liquid state. Specifically, the theory predicts the existence of phonon gaps in vibrational spectra of liquids and a thermodynamic boundary in the supercritical state. Direct experimental evidence reaffirming these theoretical predictions was achieved through a combination of techniques using static compression X-ray diffraction and inelastic X-ray scattering on deeply supercritical argon in a diamond anvil cell. Furthermore, these findings inspired and then led to the discovery of phonon gaps in liquid crystals (mesogens), block copolymers, and biological membranes. Importantly, phonon gaps define viscoelastic crossovers in cellular membranes responsible for lipid self-diffusion, lateral molecular-level stress propagation, and passive transmembrane transport of small molecules and solutes. Finally, molecular interactions mediated by external stimuli result in synaptic activity controlling biological membranes’ plasticity resulting in learning and memory. Therefore, we also discuss learning and memory effectsequally important for neuroscience as well as for the development of neuromorphic devicesfacilitated in biological membranes by external stimuli.

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Section: Mind the Phonon Gapsmentioning

confidence: 99%

The Phonon Theory of Liquids and Biological Fluids: Developments and Applications

Bolmatov

2022

J. Phys. Chem. Lett.

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“…al [31,32], applied the R-crossing method to reproduce the coexistence curves of Yukawa and Mie fluids in the vicinity of the critical point, finding a dependence of the method with the potential range. Additionally, in [33],…”

Section: Introductionmentioning

confidence: 99%

The square-well fluid: a thermodynamic geometric view

López-Picón¹,

Escamilla-Herrera²,

Torres-Arenas³

2022

Preprint

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The square-well fluid with hard-sphere diameters is studied within the framework of Thermodynamic Geometry (TG). Coexistence and spinodal curves, as well as the Widom line for ranges λ * = 1.25, 1.5, 2.0, 3.0 for this fluid are carefully studied using geometric methods. We are able to show that, unlike coexistence curves, an exact result can be given along all the thermodynamic space and for all potential ranges for spinodal curves. Additionally, R-Widom line which is defined as the locus of extrema of the curvature scalar is calculated as a function of the potential range, satisfying near the critical point a kind of Clausius-Clapeyron equation. It is argued that this relation could be a signature of certain type of characteristic phase transition when crossing the boundary of the Widom line.

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Characteristic Curves of Polar Fluids: (II) The Two-Center Lennard–Jones Plus Quadrupole Fluid

Renneis,

Stephan

2024

Int J Thermophys

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A systematic study of Brown’s characteristic curves of the two center Lennard–Jones plus point quadrupole (2CLJQ) fluid was carried out using molecular simulation and molecular-based equation of state (EOS) modeling. The model parameters (elongation and quadrupole moment) were varied systematically covering the range relevant for real fluid models. In total, 36 model fluids were studied. The independent predictions from the EOS and the computer experiments are found to be in very good agreement. Based on these results, the influence of the quadrupole moment on the fluid behavior at extreme conditions is elucidated. The quadrupole interactions are found to have a surprisingly minor influence on the extreme state fluid behavior. In particular, for the Amagat curve, the quadrupole moment is found to have an almost negligible influence in a wide temperature range. The results also provide new insights into the applicability of the corresponding states principle, which is compared to other molecular property features. Interestingly, for a wide range of quadrupole moments, the fluid behavior at extreme conditions is conform with the corresponding states principle—opposite to the influence of other molecular features. This is attributed to the symmetry of the quadrupole interactions. Moreover, an empirical correlation for the characteristic curves was developed as a global function of the model parameters and tested on real substance models. Additionally, the applicability of Batschinski’s linearity law for the Zeno curve was assessed using the results for the 2CLJQ fluid.

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Subcritical and supercritical thermodynamic geometry of Mie fluids

Cited by 7 publications

References 35 publications

The Phonon Theory of Liquids and Biological Fluids: Developments and Applications

The Phonon Theory of Liquids and Biological Fluids: Developments and Applications

The square-well fluid: a thermodynamic geometric view

Characteristic Curves of Polar Fluids: (II) The Two-Center Lennard–Jones Plus Quadrupole Fluid

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