We present an approach for constructing thermodynamically consistent time-dependent models relevant to thin films of diblock copolymers in applied electric fields. The approach is based on the principles of linear irreversible thermodynamics, and, in this work, it is applied to study the effects of electric fields on thin films of incompressible diblock copolymers. Enforcement of local incompressibility constraint at all times leads to a local order parameter dependent transport coefficient in the model for the diblock copolymers. The dependence of the transport coefficient on the local order parameter is used to relate it with the diffusion constant of Rouse chains and leads to sensitivity of the model to initial conditions. In addition, transient behavior is found to be affected when compared with an ad hoc model assuming a constant transport coefficient. Numerical results such as electric field induced alignment of lamellae domains due to the field are found to be in qualitative agreement with experiments. This approach opens up a systematic way of developing kinetic models for simulating effects of electrolytes added to thin films containing diblock copolymers in the presence of applied electric fields.
Effects of local order parameter dependent transport coefficient in diblock copolymers under applied electric fields
Note: This paper is part of the JCP Special Topic on Memory Formation.
Shuaifang Zhang, Rajeev Kumar; Effects of local order parameter dependent transport coefficient in diblock copolymers under applied electric fields. J. Chem. Phys. 7 May 2022; 156 (17): 174903. https://doi.org/10.1063/5.0089797
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