Effect of Inorganic Acids and Salt on the Conduction Behaviour of PANI Composites by DFT and Experimental Studies
DOI:
https://doi.org/10.46243/jst.2018.v3.i06.pp68-89Keywords:
Spectral, DFT, Conductance, PANIAbstract
Electroactive composite materials are a new generation of smart materials based on intrinsically conducting polymers like PANI. Here the computational and experimental study of polyaniline (PANI) composites of inorganic acids and salt are reported. The conductance is governed by charge mobility in the field produced between counter ions. Size, oxidation state and electron deficiency governs the conductance.
References
Mole Fraction of ES 0.3 0.4 0.5 0.6 0.7 0.8 0.9 1.0 1.1 Conductance (S/cm) 0.0 0.1 0.2 0.3 0.4 0.5 0.6 R y0 a b Ideal 1.0-0.1047 0.5957-Real 0.9987 0.1946-0.5059 0.8006 ES-PDHOP Mole Fraction of ES Conductance S/cm 1.0000 0.4910 0.8301 0.1211 0.7096 0.1060 0.6196 0.0875 0.5499 0.0522
Mole Fraction of ES 0.5 0.6 0.7 0.8 0.9 1.0 1.1 Conductance (S/cm) 0.0 0.1 0.2 0.3 0.4 0.5 0.6 R y0 a b Ideal 1.0-0.4838 0.9748-Real 0.9770 1.3866-4.1602 3.2499 89 ES-SHP Mole Fraction of ES Conductance S/cm 1.0000 0.4910 0.7919 0.0175 0.6555 0.002907
Mole Fraction of ES 0.6 0.7 0.8 0.9 1.0 1.1 Conductance (S/cm) 0.0 0.1 0.2 0.3 0.4 0.5 0.6 R y0 a b Ideal 1.0-0.9259 1.4169-Real 1.0 3.2007-9.0049 6.2952 ES-MA Mole Fraction of ES Conductance S/cm 1.0000 0.4910 0.8660 0.1660 0.7636 0.1092 0.6829 0.1011 0.6176 0.0745
Mole Fraction of ES 0.5 0.6 0.7 0.8 0.9 1.0 1.1 Conductance (S/cm) 0.0 0.1 0.2 0.3 0.4 0.5 0.6 R y0 a b Ideal 1.0-0.5983 1.0893-Real 0.9876 2.1565-6.0143 4.3373
