Some Simulations and theoretical studies on poly(dimethylsiloxane)

摘要

This review describes somewhat personalized choices of simulations and theoretical studies that have been carried out on poly(dimethylsiloxane) (PDMS) -Si(CH3)(2)O-. It starts from the simplest systems and proceeds to more complex ones. The specific order of topics is (i) single chains (structure, statistical properties, single-molecule deformations), (ii) uncross-linked bulk polymer (thermodynamics, structure, crystallization, permeability), (iii) unfilled elastomeric networks (cross linking, end linking, stress-strain isotherms, sol extractions, cyclic trapping), and (iv) filled elastomers (reinforcement from spherical filler particles, and ellipsoidal fillers, both oriented and unoriented).