Interaction forces potential

The first molecular dynamics simulations of a lipid bilayer which used an explicit representation of all the molecules was performed by van der Ploeg and Berendsen in 1982 [van dei Ploeg and Berendsen 1982]. Their simulation contained 32 decanoate molecules arranged in two layers of sixteen molecules each. Periodic boundary conditions were employed and a xmited atom force potential was used to model the interactions. The head groups were restrained using a harmonic potential of the form ... 

In a force-displacement curve, the tip and sample surfaces are brought close to one another, and interact via an attractive potential. This potential is governed by intermolecular and surface forces [18] and contains both attractive and repulsive terms. How well the shape of the measured force-displacement curve reproduces the true potential depends largely on the cantilever spring constant and tip radius. If the spring constant is very low (typical), the tip will experience a mechanical instability when the interaction force gradient (dF/dD) exceeds the... 

The Finnis-Sinclair type potentials (Finnis and Sinclair 1984) are central-force potentials but have a many-body character in that the energy of a system of particles is not merely a sum of pair interactions between individual atoms. In this scheme, modified for binary alloys by Ackland and Vitek (1990), the total energy of a system of N atoms is written as... 

In Eq. (15) 2 qB/r is the coulombic part of the mean force potential, and Wjj is the noncoulombic part. The earlier association constants of Fuoss, Prue, and Bjerrum are special cases of this general chemical model [15]. The importance of noncoulombic interactions is proved [ 16] by ... 

The quantity b has the dimension of a volume and is known as the excluded volume or the binary cluster integral. The mean force potential is a function of temperature (principally as a result of the soft interactions). For a given solvent or mixture of solvents, there exists a temperature (called the 0-temperature or Te) where the solvent is just poor enough so that the polymer feels an effective repulsion toward the solvent molecules and yet, good enough to balance the expansion of the coil caused by the excluded volume of the polymer chain. Under this condition of perfect balance, all the binary cluster integrals are equal to zero and the chain behaves like an ideal chain. 

Instead of the hard-sphere model, the Lennard-Jones (LJ) interaction pair potential can be used to describe soft-core repulsion and dispersion forces. The LJ interaction potential is... 

The departure of a system from the ideal state is due to interaction forces between the individual particles contained in the system. The dependence of chemical potential of a species on its concentration can be written as... 

From the changes in the obtained potential profiles, we evaluated the interaction coefficient P and, compared it with the theoretical calculation of p, we also confirmed that the proposed method could evaluate the interaction force without any fitting parameters, which have usually been required in the typical correlation method. 

Measurement of the Hydrodynamic Interaction Force Acting between Two Trapped Particles Using the Potential Analysis Method... 

We introduced the technique for measuring the weak interaction forces acting between two particles using the photon force measurement method. Compared with the previous typically used methods, such as cross-correlation analysis, this technique makes it possible to evaluate the interaction forces without a priori information, such as media viscosity, particle mass and size. In this chapter, we focused especially on the hydrodynamic force as the interaction between particles and measured the interaction force by the potential analysis method when changing the distance between particles. As a result, when the particles were dose to each other, the two-dimensional plots of the kinetic potentials for each particle were distorted in the diagonal direction due to the increase in the interaction force. From the results, we evaluated the interaction coeffidents and confirmed that the dependence of the... 

E Ruckenstein, V Lesins. Classification of liquid chromatographic methods based on the interaction forces The niche of potential barrier chromatography. In A Mizrahi, ed. Advances in Biotechnological Processes, Vol 8 Downstream Processes Equipment and Techniques. New York Alan R. Liss, 1988, pp 241-314. 

The DLVO theory, with the addition of hydration forces, may be used as a first approximation to explain the preceding experimental results. The potential energy of interaction between spherical particles and a plane surface may be plotted as a function of particle-surface separation distance. The total potential energy, Vt, includes contributions from Van der Waals energy of interaction, the Born repulsion, the electrostatic potential, and the hydration force potential. [Israelachvili (13)]. 

The interface is, from a general point of view, an inhomogeneous dielectric medium. The effects of a dielectric permittivity, which need not be local and which varies in space, on the distribution of charged particles (ions of the electrolyte), were analyzed and discussed briefly by Vorotyntsev.78 Simple models for the system include, in addition to the image-force interaction, a potential representing interaction of ions with the metal electrons. 

Figure 6.8 The pair interaction force for the system with the pair potential shown in Figure 5.9...

Figure 6.9 (a) The pair interaction force for a polystyrene particle with a I pm radius and Ka = 100 with a steric barrier of about 2nm. (b) The stability map for the system with the pair potential shown in Figure 6.9(a). The applied shear is represented by the Peclet number Pe versus the surface potential ij/0... 

The theoretical study (2,3) of this interface is made inherently difficult by virtue of the complex, many-body nature of the interaction potentials and forces involving surfaces, counterions, and water. Hence, many models of the interfacial region explicitly specify the forces between colloidal particles or between solutes, but few account for the many-body interaction forces of the solvent. 

When two similarly charged colloid particles, under the influence of the EDL, come close to each other, they will begin to interact. The potentials will detect one another, and this will lead to various consequences. The charged molecules or particles will be under both van der Waals and electrostatic interaction forces. The van der Waals forces, which operate at a short distance between particles, will give rise to strong attraction forces. The potential of the mean force between colloid particle in an electrolyte solution plays a central role in the phase behavior and the kinetics of agglomeration in colloidal dispersions. This kind of investigation is important in these various industries ... 

Theories or computer simulations used to calculate the potential of mean force W(r) are typically based on numerous simplifying assumptions and approximations (de Kruif, 1999 Bratko et al., 2002 Prausnitz, 2003 de Kruif and Tuinier, 2005 Home et al., 2007 Jonsson et al., 2007). Therefore they can provide only a qualitative or, at best, semi-quantitative description of the potential of mean force. Such calculations are nevertheless useful because they can serve as a guide for trends in the factors determining the interactions of both biopolymers and colloidal particles. Thus, an increase in the absolute value of the calculated negative depth of W(r) may be attributed to a predominant type of molecular feature favouring aggregation or self-association. To assist with such a theoretical analysis, expressions for some of the mean force potentials will be presented here in the discussion of specific kinds of interactions occurring between pairs of colloidal particles covered by biopolymers in food colloids. 

Equations for calculating van der Waals interaction forces/energies between macromolecules or colloidal particles are quite well established (Israelachvili, 1992 Dickinson and McClements, 1995 McClements, 2005). (For example, see equations (3.35) and (3.36) in chapter 3). The interactions between nanoparticles are potentially more complicated, however, because the nanoparticle size and interparticle separation are comparable in magnitude, precluding the use of the asymptotic forms of the equations also nanoparticles are commonly anisotropic, and their dielectric properties are often not known (Min et al., 2008). 

The purpose of the present chapter is to introduce some of the basic concepts essential for understanding electrostatic and electrical double-layer pheneomena that are important in problems such as the protein/ion-exchange surface pictured above. The scope of the chapter is of course considerably limited, and we restrict it to concepts such as the nature of surface charges in simple systems, the structure of the resulting electrical double layer, the derivation of the Poisson-Boltzmann equation for electrostatic potential distribution in the double layer and some of its approximate solutions, and the electrostatic interaction forces for simple geometric situations. Nonetheless, these concepts lay the foundation on which the edifice needed for more complicated problems is built. 

With respect to nonionized organic solutes in aqueous solutions, the interfacial interaction force constants were expressed as constants that define the interfacial potential function as follows ... 

Table III. Data on Interfacial Interaction Force Parameters for Some Potential Water Pollutants...

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