Electrostatic parameters model systems

As mentioned earlier, an efficient means of probing the sensitivity of the properties of a model biomolecular system is to calculate the derivatives of the properties of the system with respect to the model parameters. (Model parameters are not limited to force field parameters consider, e.g., nonbonded cutoffs for electrostatic interactions.) Because these derivatives probe the responses of... 

The objective of the polarization model is to relate the material parameters, such as the dielectric properties of both the liquid and solid particles, the particle volume fraction, the electric field strength, etc., to the rheological properties of the whole suspension, in combination with other micro structure features such as fibrillatcd chains. A idealized physical model ER system—an uniform, hard dielectric sphere dispersed in a Newtonian continuous medium, is usually assumed for simplification reason, and this model is thus also called the idealized electrostatic polarization model. The hard sphere means that the particle is uncharged and there are no electrostatic and dispersion interactions between the particles and the dispersing medium before the application of an external electric field. For the idealized electrostatic polarization model, there are roughly two ways to deal with the suspensions One is to consider the Brownian motion of particle, and another is to ignore the Brownian motion and particle inertia. For both cases the anisotropic structure of such a hard sphere suspension is assumed to be represented by the pair correlation function g(r,0), derived by... 

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