Mesoscopic simulation study on the interaction between polymer and C_12NBr or C_9phNBr in aqueous solution

摘要

The interaction of partially hydrolyzed polyacrylamide (HPAM) with dodecyl-oxypropyl-beta-hydroxyl trimethyl-ammonium bromide (C_12 NBr) and nonyl-phenyl-oxypropyl-beta-hydroxyl trimethyl-ammonium bromide (C_9phNBr) in the solution was investigated by the Dissipative Particle Dynamics (DPD) method.The calculated interaction parameters between HPAM and C_12NBr or C_9phNBr showed that C_12NBr is most likely to form polymer/surfactant complex with HPAM in contrast to C_9phNBr.The experiment of binding isoltherm was used to validate the DPD results via surfactant-selective electrode and equilibrium dialysis method.In DPD method,the mean square end-to-end distance of polymer chain firstly increased,then reduced,and finally increased,then reduced,and finally increased again.In addition,some polymer/surfactnat complexes were also shown.One conclusion is that mesolscopic simulation can be considered as an otherwise inaccessible(or not easility accessible)information in the experiment.