Chapter 4
Modified iSAFT: a new density
functional theory for
inhomogenous polymers
iSAFT as developed by Tripathi and Chapman [60, 115] is powerful and computa-
tional efficient density functional theory (DFT) for inhomogeneous polymer systems.
However, as discussed in the last chapter, the approximations made in iSAFT are
in general more applicable to homonuclear polymer chains. This chapter presents
a new DFT labeled as modified iSAFT as it shares the same basis as iSAFT and
demonstrates its applicability to a range of heteronuclear polymer systems.
81
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