Some Simulations and Theoretical Studies on Poly(dimethylsiloxane)

This review describes somewhat personalized choices of simulations and theoretical studies that have been carried out on poly(dimethylsiloxane) (PDMS) [‐Si(CH3)2O‐]. 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).