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The mesoscopic modeling of three polysiloxanes in solution is reported inthis work, with the purpose of predicting their physicochemical properties asfunctions of the quality of the solvent, so that a judicious choice ofpolymer/solvent can be made for various applications. The polymers studied werethe following polysiloxanes: polydimethylsiloxane (PDMS), polysiloxane with abulky alkyl side group (PMHS) and a siloxane copolymer with a hydrophilic polarside group (P2DMPAS). The model used and solved through numerical simulationsis the one known as dissipative particle dynamics. Density profiles and radialdistribution functions were calculated for each system. We analyzed how thepolymers behave in the presence of solvents of varying quality and comparedtheir behavior with experimental data. We observed that we could replicate thebehavior in good solvents for PDMS and PMHS. We also observed in the simulationbox the formation of pseudo-micelles for P2DMPAS.

Study of polymer solvent interactions of complex polysiloxanes using dissipative particle dynamics