Low Density Density Derivative of the Self-Correlation Function of a Hard Sphere Gas

1974 ◽  
Vol 52 (10) ◽  
pp. 902-916
Author(s):  
D. G. Blair ◽  
N. K. Pope

For the classical gas of hard spheres, exact expressions are derived for [∂Is(r,t)/∂n]n = 0, [∂Is(q,t)/∂n]n = 0, and [∂Ss(q,ω)/∂n]n = 0, the density derivatives of the Van Hove self-correlation functions. The relationships between the direct derivation using the activity expansion, and the derivations based on the generalized kinetic equation and the linearized Boltzmann equation are discussed. Properties of these density derivatives and of the corresponding self-correlation functions, as given by the first two terms of the density expansion, are discussed in detail. The expressions are compared with the hard sphere results of Desai and Nelkin. of Sears and of Mazenko et al.; and also with the predictions of the single relaxation time model and the Langevin diffusion model.

2015 ◽  
Vol 2015 ◽  
pp. 1-12 ◽  
Author(s):  
Volkan Ramazan Akkaya ◽  
Ilyas Kandemir

Classical solution of Navier-Stokes equations with nonslip boundary condition leads to inaccurate predictions of flow characteristics of rarefied gases confined in micro/nanochannels. Therefore, molecular interaction based simulations are often used to properly express velocity and temperature slips at high Knudsen numbers (Kn) seen at dilute gases or narrow channels. In this study, an event-driven molecular dynamics (EDMD) simulation is proposed to estimate properties of hard-sphere gas flows. Considering molecules as hard-spheres, trajectories of the molecules, collision partners, corresponding interaction times, and postcollision velocities are computed deterministically using discrete interaction potentials. On the other hand, boundary interactions are handled stochastically. Added to that, in order to create a pressure gradient along the channel, an implicit treatment for flow boundaries is adapted for EDMD simulations. Shear-Driven (Couette) and Pressure-Driven flows for various channel configurations are simulated to demonstrate the validity of suggested treatment. Results agree well with DSMC method and solution of linearized Boltzmann equation. At low Kn, EDMD produces similar velocity profiles with Navier-Stokes (N-S) equations and slip boundary conditions, but as Kn increases, N-S slip models overestimate slip velocities.


1979 ◽  
Vol 57 (3) ◽  
pp. 466-476 ◽  
Author(s):  
D. G. Blair ◽  
N. K. Pope ◽  
S. Ranganathan

Using the grand canonical ensemble, the classical Van Hove correlation function G(r, t) is expanded in a power series in density. The zero density limit is the ideal gas result. We have derived, for a classical gas of hard spheres, exact expressions for [Formula: see text], the zero density derivative of the correlation function, and its Fourier transforms. These involve only two particle dynamics. The first two terms in the density expansions provide representation of the correlation functions for appropriate ranges of density and correlation function arguments. We also show that the same result can be obtained from generalized kinetic equations. To this order in density, the moment relations and the time derivatives of I(q, t) at t = 0+ are satisfied. Numerical results are compared with those of Mazenko, Wei, and Yip and with those of the Boltzmann equation and they show the expected behavior.


1994 ◽  
Vol 101 (8) ◽  
pp. 6975-6978 ◽  
Author(s):  
Douglas Henderson ◽  
Kwong‐yu Chan ◽  
Léo Degrève

2010 ◽  
Vol 75 (3) ◽  
pp. 359-369 ◽  
Author(s):  
Mariano López De Haro ◽  
Anatol Malijevský ◽  
Stanislav Labík

Various truncations for the virial series of a binary fluid mixture of additive hard spheres are used to analyze the location of the critical consolute point of this system for different size asymmetries. The effect of uncertainties in the values of the eighth virial coefficients on the resulting critical constants is assessed. It is also shown that a replacement of the exact virial coefficients in lieu of the corresponding coefficients in the virial expansion of the analytical Boublík–Mansoori–Carnahan–Starling–Leland equation of state, which still leads to an analytical equation of state, may lead to a critical consolute point in the system.


1989 ◽  
Vol 54 (1-2) ◽  
pp. 273-313 ◽  
Author(s):  
I. M. de Schepper ◽  
E. G. D. Cohen ◽  
B. Kamgar-Parsi

1991 ◽  
Vol 7 (3) ◽  
pp. 404-408 ◽  
Author(s):  
K. Ben Nowman

This paper is concerned with deriving formulae for higher order derivatives of exogenous variables for use in estimating the parameters of an open secondorder continuous time model with mixed stock and flow data and first and second order derivatives of exogenous variables which are not observable. This should provide the basis for the future estimation of continuous time models in a range of applied areas using the new Gaussian estimation computer program developed by Nowman [4].


2011 ◽  
Vol 667 ◽  
pp. 403-425 ◽  
Author(s):  
W. TODD GILLELAND ◽  
SALVATORE TORQUATO ◽  
WILLIAM B. RUSSEL

The sedimentation velocity of colloidal dispersions is known from experiment and theory at dilute concentrations to be quite sensitive to the interparticle potential with attractions/repulsions increasing/decreasing the rate significantly at intermediate volume fractions. Since the differences necessarily disappear at close packing, this implies a substantial maximum in the rate for attractions. This paper describes the derivation of a robust upper bound on the velocity that reflects these trends quantitatively and motivates wider application of a simple theory formulated for hard spheres. The treatment pertains to sedimentation velocities slow enough that Brownian motion sustains an equilibrium microstructure without large-scale inhomogeneities in density.


Physica ◽  
1973 ◽  
Vol 64 (2) ◽  
pp. 342-362 ◽  
Author(s):  
H.H.U. Konijnendijk ◽  
J.M.J. Van Leeuwen

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