Thermodynamic characteristics of the aliphatic polyamide crystal structures: Enhancement of nylon 66α, 610α and 77γ polymers

Abstract

Despite the polymer industry's reliance on nylon polymers, numerous questions remain about their crystal structures, modeling, and other features. This work discusses the thermodynamic properties and molecular modeling of a polyamides nylon 66α, 610α, and 77γ crystal structure systems for use in various electronics and Nano-devices that feature distinct properties such as exceptional optoelectronic properties at a low cost compared to other structures. This study looked at the crystal structure of a linear polyamide chain made up of repeating units. The influence of the thermal expansion coefficient and thermodynamic parameters on crystal structures' characteristics at different temperatures has previously been explored. The findings of this study demonstrate, on the one hand, the influence of the amorphous phase on the final thermodynamic characteristics of semi-crystalline polymers and, on the other hand, pave the way for greater improvement in the durability of these polymers by increasing their crystalline features. The values of the thermodynamic parameters for nylon 66α, 610α and 77γ such as enthalpy (ΔHExp.) were 35.08, 40.25, and 1.44 kJ/mol, entropy (ΔSExp.) 113.75, 128.84, and 15.10 J/mol-K, free energy (ΔGExp.) was −44.57, −46.62, and −6.86 kJ/mol, respectively. When the nylon data is compared, the nylon 610α exhibits a significantly higher free energy, at high temperatures, the process is spontaneous and exergonic, making it a potentially viable material for use as fibers and engineering thermoplastics.