Van der Waals equation

Summary

In chemistry and thermodynamics, the Van der Waals equation (or Van der Waals equation of state) is an equation of state which extends the ideal gas law to include the effects of interaction between molecules of a gas, as well as accounting for the finite size of the molecules. The ideal gas law treats gas molecules as point particles that interact with their containers but not each other, meaning they neither take up space nor change kinetic energy during collisions (i.e. all collisions are perfectly elastic). The ideal gas law states that the volume V occupied by n moles of any gas has a pressure P at temperature T given by the following relationship, where R is the gas constant: :PV=nRT To account for the volume occupied by real gas molecules, the Van der Waals equation replaces V/n in the ideal gas law with (V_m-b), where Vm is the molar volume of the gas and b is the volume occupied by the molecules of one mole

Official source

https://en.wikipedia.org/wiki/Van_der_Waals_equation

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On the non-analytic behaviour of thermodynamic potentials at first order phase transitions

Sacha Friedli

This work is devoted to the study of the analyticity properties of thermodynamic potentials (free energy, pressure) for classical lattice systems at low temperature. The central topic of our analysis, in this framework, is to show rigorously the absence of analytic continuation at points of first order phase transition. Our first result applies to the general class of two phase models considered in the Theory of Pirogov-Sinai. The analysis reveals that the Peirls condition, which is the basic hypothesis of the theory, suffices to show the absence of analytic continuation of the pressure at the transition point. In a second part, we study a particular two body potential, of the form γdJ(γx), where γ > 0 is a small parameter and J a function with bounded support (in the limit γ —> 0, this potential gives a rigorous justification of the "equal area rule" of the van der Waals-Maxwell Theory). For all small strictly positive values of the parameter γ, we show that the free energy has no analytic continuation at the transition points. These results confirm early conjectures stating that the finiteness of the range of interaction is responsible for the presence of singularities in the thermodynamic potentials.

EPFL2003

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Experimental control of local spin-charge interconversion is of primary interest for spintronics. Van der Waals (vdW) heterostructures combining graphene with a strongly spin-orbit coupled two-dimensional (2D) material enable such functionality by design. Electric spin valve experiments have thus far provided global information on such devices, while leaving the local interplay between symmetry breaking, charge flow across the heterointerface and aspects of topology unexplored. Here, we probe the gate-tunable local spin polarisation in current-driven graphene/WTe2 heterostructures through magneto-optical Kerr microscopy. Even for a nominal in-plane transport, substantial out-of-plane spin accumulation is induced by a corresponding out-of-plane current flow. We present a theoretical model which fully explains the gate- and bias-dependent onset and spatial distribution of the intense Kerr signal as a result of a non-linear anomalous Hall effect in the heterostructure, which is enabled by its reduced point group symmetry. Our findings unravel the potential of 2D heterostructure engineering for harnessing topological phenomena for spintronics, and constitute an important step toward nanoscale, electrical spin control. Spin-based electronics offers significantly improved efficiency, but a major challenge is the electric manipulation of spin. Here, Powalla et al find a large gate induced spinpolarization in graphene/WTe2 heterostructures, illustrating the potential of such heterostructures for spintronics.

NATURE PORTFOLIO2022

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We propose to express corrections to the standard approximations of the exchange-correlation functionals in the form of multiatom-centered functionals that can be related to the atoms-in-molecules theory of Bader and a multicenter density expansion. Unlike conventional functionals, the variables of these multicenter functionals are the positions and identities of the nuclei, which can unambiguously be determined from the topology of the electronic density. The proposed multicenter correction is used to provide a theoretical basis for the dispersion-corrected atom-centered potential (DCACP) approach used to improve van der Waals interactions in conventional density functional theory. Convergence to the correct long-range asymptotic behavior of the multicenter expansion for DCACPs is demonstrated in the test case of the H-2 van der Waals dimer.

2009