Dissipative particle dynamics simulations have been utilized to study the morphology of the short-side-chain (SSC) perfluorosulfonic acid (PFSA) ionomer as a function of equivalent weight (EW) and degree of hydration. Equilibrated morphologies were determined for SSC PFSA membranes with EWs of 678 and 1278 g/mol at hydration levels corresponding to 5,7,9,11 and 16 H2O/SO3H. Water contour plots reveal that isolated water clusters at lower water contents increase in size with increasing hydration, and form continuous water domains at the highest hydration level. The ionomer with an EW=1278 induces stronger aggregation of the water and results in larger water domains that are less connected when compared to the lower EW ionomer at 16 H2O/SO3H. The size of the water clusters are estimated from radial distribution functions and indicate that the spacing between the water domains increases with increasing EW of the ionomer.
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机译：已经利用耗散颗粒动力学模拟来研究短侧链（SSC）全氟磺酸（PFSA）离聚物作为等效重量（EW）和水合度的函数的形态。测定平衡的形态，用于SSC PFSA膜，EW为678和1278g / mol，在水合水平下对应于5,7,9,11和16 H 2 O / SO3H。水轮廓图揭示了较低水含量下的隔离水簇随着水化的增加而增加，并在最高水合水平处形成连续水域。具有EW = 1278的离聚物诱导水的较强的聚集，并导致与16h 2 O / SO3H的下部EW离聚物相比，较大的水域。从径向分布函数估计水簇的尺寸，并表明水域之间的间距随着离聚物的ew的增加而增加。
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