Monte Carlo dynamics study of motions in &s-unsaturated hydrocarbon chains
نویسندگان
چکیده
A Monte Carlo dynamics study of the motions of hydrocarbon chains containing cis double bonds is presented. The simulations utilize the high-coordination {2 1 0) lattice for the simultaneous representation of the tetrahedrally bonded carbon atoms and the planar unsaturated segment. Results on single chains undergoing free motion in space and tethered to an impenetrable planar interface are reported. The introduction of a cis double bond into a hydrocarbon chain induces a slowdown in the dynamics. The simulations show this to be a universal result independent of the representation of the chain on the lattice. In contrast, polyunsaturated chains are found to be more mobile than saturated ones.
منابع مشابه
Effect of double bonds on the dynamics of hydrocarbon chains
Brownian dynamics simulations of isolated 18-carbon chains have been performed, both for saturated and unsaturated hydrocarbons. The effect of one or several (nonconjugated) double bonds on the properties of the chains is discussed in terms of both equilibrium and dynamic properties. The introduction of a cis double bond increases the relaxation rates of the unsaturated chain with respect to th...
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