By Barrat J.-L., Hansen J.-P.
Proposing a unified strategy, this publication specializes in the theoretical recommendations and techniques useful for knowing the physics and chemistry of the fluid nation. vital principles are awarded concisely and illustrated with examples from easy molecular drinks and extra advanced delicate condensed subject platforms similar to polymers, colloids, and liquid crystals.
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Extra info for Basic concepts for simple and complex liquids
As a third example, we shall brieﬂy show how computer simulations of atomistic models can provide extremely valuable information on the structure, phase behaviour and dynamics of simple and complex ﬂuids, supplementing the data obtained from experimental probes. 4 Application 1: excluded and free volume The single most important feature of the interaction between molecules or colloidal particles is their strong mutual repulsion whenever their centres come within a distance of the order of the particle diameter.
Note that the corresponding elastic stiffness increases with increasing temperature. 25 26 An introduction to liquid matter The Gaussian chain model In this model, the conﬁguration of the chain is speciﬁed by N + 1 monomer positions, R1 . . 31) i=1 where b has the dimension of a length. 31) is that the statistical weight of a conﬁguration Ri is W (R1 , . . 32) In this model, all the segments Ri+1 − Ri are independent Gaussian variables. 33) Obviously this Gaussian model 7 is logically interpreted as a coarse-grained version of the freely jointed model.
At this level of description, simulations are carried out on systems of mesoscopic particles interacting via such effective forces. 4. The two most widely used classical simulation methods, Monte-Carlo and molecular dynamics, correspond to two different ways of exploring the phase space of a sample of N particles interacting via given force laws. For the sake of simplicity, the subsequent discussion will be restricted to ﬂuids of spherical, classical particles interacting via central forces deriving from a pair potential v(r ), where r is the distance between the centres of two particles.
Basic concepts for simple and complex liquids by Barrat J.-L., Hansen J.-P.
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