Boltzmanns Equation

Boltzmann equation is obtained by integrating Liouville equation. Boltzmann equation is based on the following assumptions [Pg.91]

The density is low so that only binary collisions are considered. [Pg.91]

Consider a gas in which an external force F acts and assume that no collisions take place between the gas molecules. In time dt, the velocity C of any molecule will change to C + Fdt, and its position will change from jc to x + l dt. Thus, the number of molecules P x, C, t)dxd is equal to the number of molecules P(x + Ct,C + Fdt, t + dt)dx dC, that is. [Pg.91]

however, collision do occur between the molecules, there will be a net difference between the number of molecules, which can be written as J(P)dxdCdt, where J(P) is the collision operator. Thus, the evolution of the distribution function can be written as [Pg.91]

For monoatomic gas molecules undergoing binary collisions, the Boltzmann equation can be expressed as [Pg.91]

Marmur [12] has presented a guide to the appropriate choice of approximate solution to the Poisson-Boltzmann equation (Eq. V-5) for planar surfaces in an asymmetrical electrolyte. The solution to the Poisson-Boltzmann equation around a spherical charged particle is very important to colloid science. Explicit solutions cannot be obtained but there are extensive tabulations, known as the LOW tables [13]. For small values of o, an approximate equation is [9, 14]... [Pg.174]

In 1872, Boltzmaim introduced the basic equation of transport theory for dilute gases. His equation detemiines the time-dependent position and velocity distribution fiinction for the molecules in a dilute gas, which we have denoted by /(r,v,0- Here we present his derivation and some of its major consequences, particularly the so-called //-tlieorem, which shows the consistency of the Boltzmann equation with the irreversible fomi of the second law of themiodynamics. We also briefly discuss some of the famous debates surrounding the mechanical foundations of this equation. [Pg.676]

A3.1.3.2 THE CHAPMAN-ENSKOG NORMAL SOLUTIONS OF THE BOLTZMANN EQUATION... [Pg.686]

Onsager s theory can also be used to detemiine the fomi of the flucUiations for the Boltzmaim equation [15]. Since hydrodynamics can be derived from the Boltzmaim equation as a contracted description, a contraction of the flucUiating Boltzmann equation detemiines fluctuations for hydrodynamics. In general, a contraction of the description creates a new description which is non-Markovian, i.e. has memory. The Markov... [Pg.707]

Fox R F and Uhlenbeck G E 1970 Contributions to non-equilibrium thermodynamics. II. Fluctuation theory for the Boltzmann equation Rhys. Fluids 13 2881... [Pg.714]

McNamara G R and Zanetti G 1998 Use of the Boltzmann equation to simulate lattice-gas automata Phys. Rev. Lett. 61 2332... [Pg.2387]

More sophisticated approaches to describe double layer interactions have been developed more recently. Using cell models, the full Poisson-Boltzmann equation can be solved for ordered stmctures. The approach by Alexander et al shows how the effective colloidal particle charge saturates when the bare particle charge is increased [4o]. Using integral equation methods, the behaviour of the primitive model has been studied, in which all the interactions between the colloidal macro-ions and the small ions are addressed (see, for instance, [44, 45]). [Pg.2678]

Fig. 1. Explanation of the principles of the finite-difference method for solution of the Poisson-Boltzmann equation...

Tanford, C., Kirkwood, J. G. Theory of protein titration curves. I. General equations for impenetrable spheres. J. Am. Chem. Soc. 79 (1957) 5333-5339. 6. Garrett, A. J. M., Poladian, L. Refined derivation, exact solutions, and singular limits of the Poisson-Boltzmann equation. Ann. Phys. 188 (1988) 386-435. Sharp, K. A., Honig, B. Electrostatic interactions in macromolecules. Theory and applications. Ann. Rev. Biophys. Chem. 19 (1990) 301-332. [Pg.194]

Sharp, K. A., Honig, B. Calculating total electrostatic energies with the nonlinear Poisson-Boltzmann equation. J. Phys. Chem. 94 (1990) 7684-7692. Zhou, H.-X. Macromolecular electrostatic energy within the nonlinear Poisson-Boltzmann equation. J. Chem. Phys. 100 (1994) 3152-3162. [Pg.194]

Davis, M. E., McCammon, J. A. Solving the finite difference linearized Poisson-Boltzmann equation A comparison of relaxation and conjugate gradients methods.. J. Comp. Chem. 10 (1989) 386-394. [Pg.195]

Another way of calculating the electrostatic component of solvation uses the Poisson-Boltzmann equations [22, 23]. This formalism, which is also frequently applied to biological macromolecules, treats the solvent as a high-dielectric continuum, whereas the solute is considered as an array of point charges in a constant, low-dielectric medium. Changes of the potential within a medium with the dielectric constant e can be related to the charge density p according to the Poisson equation (Eq. (41)). [Pg.365]

If there are ions in the solution, they will try to change their location according to the electrostatic potential in the system. Their distribution can be described according to Boltzmarm. Including these effects and applying some mathematics leads to the final linearized Poisson-Boltzmann equation (Eq. (43)). [Pg.365]

Methods Based upon the Poisson-Boltzmann Equation... [Pg.619]

The linearised Poisson-Boltzmann equation is obtained by taking only the first term in the expansion, giving ... [Pg.620]

How can Equation (11.79) be solved Before computers were available only simple ihapes could be considered. For example, proteins were modelled as spheres or ellipses Tanford-Kirkwood theory) DNA as a uniformly charged cylinder and membranes as planes (Gouy-Chapman theory). With computers, numerical approaches can be used to solve the Poisson-Boltzmann equation. A variety of numerical methods can be employed, including finite element and boundary element methods, but we will restrict our discussion to the finite difference method first introduced for proteins by Warwicker and Watson [Warwicker and Watson 1982]. Several groups have implemented this method here we concentrate on the work of Honig s group, whose DelPhi program has been widely used. [Pg.620]

An interesting historical application of the Boltzmann equation involves examination of the number density of very small spherical globules of latex suspended in water. The particles are dishibuted in the potential gradient of the gravitational field. If an arbitrary point in the suspension is selected, the number of particles N at height h pm (1 pm= 10 m) above the reference point can be counted with a magnifying lens. In one series of measurements, the number of particles per unit volume of the suspension as a function of h was as shown in Table 3-3. [Pg.74]

The Poisson-Boltzmann equation is a modification of the Poisson equation. It has an additional term describing the solvent charge separation and can also be viewed mathematically as a generalization of Debye-Huckel theory. [Pg.210]

In a plasma, the constituent atoms, ions, and electrons are made to move faster by an electromagnetic field and not by application of heat externally or through combustion processes. Nevertheless, the result is the same as if the plasma had been heated externally the constituent atoms, ions, and electrons are made to move faster and faster, eventually reaching a distribution of kinetic energies that would be characteristic of the Boltzmann equation applied to a gas that had been... [Pg.91]

The Boltzmann equation (Equation 18.2) shows that, under equilibrium conditions, the ratio of the number (n) of ground-state molecules (A ) to those in an excited state (A ) depends on the energy gap E between the states, the Boltzmann constant k (1.38 x 10" J-K" ), and the absolute temperature T(K). [Pg.124]

The thermodynamic probability is converted to an entropy through the Boltzmann equation [Eq. (3.20)] so we can write for the entropy of the mixture (subscript mix)... [Pg.512]

Application of the Boltzmann equation to Eq. (8.33) gives the entropy of the mixture according to this model for concentrated solutions ... [Pg.515]

There is a stack of rotational levels, with term values such as those given by Equation (5.19), associated with not only the zero-point vibrational level but also all the other vibrational levels shown, for example, in Figure 1.13. However, the Boltzmann equation (Equation 2.11), together with the vibrational energy level expression (Equation 1.69), gives the ratio of the population of the wth vibrational level to Nq, that of the zero-point level, as... [Pg.112]

Boltzmann equation Boltzmann relation Boltzman statistics Bolvidon Bolzano process Bombesin [31362-50-2]... [Pg.121]

In order to calculate the distribution function must be obtained in terms of local gas properties, electric and magnetic fields, etc, by direct solution of the Boltzmann equation. One such Boltzmann equation exists for each species in the gas, resulting in the need to solve many Boltzmann equations with as many unknowns. This is not possible in practice. Instead, a number of expressions are derived, using different simplifying assumptions and with varying degrees of vaUdity. A more complete discussion can be found in Reference 34. [Pg.419]

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