An electroactive polyurethane coating was prepared through ring opening reaction of epoxy-terminated castor oil-based polyurethane prepolymers with an appropriate amount of an amine-terminated aniline trimer oligomer (AT). A non-electroactive polyurethane coating was prepared by replacing AT with 1, 6-hexamethylene diamine (HDA) as a curing agent. The chemical structure of prepared coatings was fully characterized by a conventional spectroscopic method and their physicochemical properties including chemical resistance, hardness and adhesion strength were also evaluated. The electroactivity behavior of the prepared coatings was confirmed by cyclic voltammetry technique. The corrosion protection properties of electroactive and non-electroactive coatings (MS) were both measured by Tafel polarization technique and electrochemical impedance spectroscopy (EIS). According to the Tafel result, a considerable reduction in corrosion current (Icorr) and a more positive shift in corrosion potential (Ecorr) were detected for electroactive polyurethane-coated MS in comparison to those for bare and as well as non-electroactive polyurethane-coated MS. The EIS result indicated higher pore resistance (Rp) and consequently higher corrosion protection for electroactive coating in comparison to non-electroactive polyurethane-coated MS. The higher chemical resistance, hardness, and adhesion strength were recorded for electroactive polyurethane coating. Based on recorded data, it was revealed that the prepared electroactive polyurethane coatings not only could prevent the intrusion of corrosion spices onto the metal surface like a hydrophobic polymer coating, but also could enhance corrosion protection efficiency through redox reactions of their oligoaniline moieties with the metal surface.

The use of appropriate level of theories for studying weak interactions such as 8-8 stacking interactions of aromatic molecules has been an important aspect, since the high level methods have limitations for application to large molecules. The differences in the stacking energies of various aromatic molecular structures are found significant. It is also very important for identifying the most favored stacked models of aniline and hydrated aniline molecules. The effect of basis set in the stacking energies of MP2 calculations is small. The values for HF and MP2 level of theories calculate less electron correlation energy whereas CCSD (T) methods may be used for the calculation of better electron correlation energy. The moderately accurate calculations, MP2 level of theories were found feasible for most of the simple aromatic systems such as benzene, pyridine, aniline etc. In our studies, it has been investigated to study the different p-p stacking interaction energies and the effect of change in conformations for aniline and hydrated aniline systems.

The use of appropriate level of theories for studying weak van der Waal interactions such as8-8 stacking interactions of aromatic molecules has been an important aspect, since the high level methods have limitations for application to large molecules. The differences in the stacking energies of various aromatic molecular structures are found significant. It is also very important for identifying the most favored stacked models of aniline and some of the p-substituted aniline molecules. The effect of basis set in the stacking energies of MP2 calculations is small. The values for HF and MP2 level of theories calculate less electron correlation energy whereas CCSD (T) methods may be used for the calculation of better electron correlation energy. The moderately accurate calculations, MP2 level of theories were found feasible for most of the simple aromatic systems such as benzene, pyridine, aniline etc. In our studies, it has been investigated by using MP2 and DFT methods, to study the8-8 stacking interaction energies for the minimized stacked models of aniline and some psubstituted aniline systems.

Various textile fibers in yarn forms were treated with aniline at different oxidative polymerization conditions to improve their electrical conductivities. In addition to the measurement of the electrical resistance, surface texture and fiber cross-sections were examined by an optical and a scanning electron microscope. Attenuated total reflection infra-red spectroscopy was used to detect the formation of polyaniline on the surface of fibers. An attempt was made to correlate the perceived colour of the treated samples via visible light reflection spectroscopy with electrical resistance. At proper condition of treatment, polyaniline formed on the surface of fibers improve the yarns conductivity. The decreases of electrical resistance in nylon, cotton and acrylics were found to be more than polyester and wool yarns. The changes in the mechanical properties of yarns after treatment were insignificant. The stability of different coating processes of polyaniline on the surface of cotton and acrylic yarns were compared. It goes further to explain the results based on the pertinent literature.