By Stuart A. Rice
This sequence presents the chemical physics box with a discussion board for serious, authoritative reviews of advances in each quarter of the self-discipline. quantity 129 within the sequence keeps to record contemporary advances with major, up to date chapters by way of across the world well-known researchers.
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Extra resources for Advances in Chemical Physics, Volume 129
10,47,48]. 28 illustrates the two representative molecular models for PFPE to be examined in this chapter: the simple reactive sphere (SRS) [157,158] and the bead-spring models . A. SRS Model Here, we adopted a spin analogy/lattice gas model, or SRS model, as shown in Fig. 28(a), which represents an oversimpliﬁed molecular structure yet still captures the essence of the molecule–surface interactions for describing SME proﬁles. Similar techniques using the Ising model to study other physical systems have been investigated [148,149,160]; however, none of the literature deals with the simulation of PFPE lubricant dynamics described here.
Simulations of PFPE Zdol include three steps: (1) the generation of ﬁlm, (2) relaxation of the spin system, and (3) the spreading process. These steps are described carefully by Ma . 29. A schematic of the simulation lattice. 1. Generation of Film. Similar to the PFPE Z case, a three-dimensional (L Â M Â N) lattice is generated, where M is the direction of the periodic boundary condition in the simulation of spreading process. Then, a ﬁlm of several layers with random orientation of spins is deposited on the substrate.
Incorporating Jeffery’s results of velocity ﬁelds around the particle, Simha  obtained expressions for two explicit limiting cases of ellipsoids. Kuhn and Kuhn  also obtained an expression for intrinsic viscosity for the full range of particle aspect ratio (p) by taking an approach similar to Simha’s method. 645). 455), implying that the apparent shape of the PFPE is ‘‘nonspherical’’ and suggesting the existence of cluster formations. 25. kH values are strongly dependent on the solvent quality, indicating signiﬁcant differences between the interaction among the ‘‘clusters’’ of PFPE molecules.