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Description
This study investigates the effect of mixing ratios on the compatibility and binding energy of polyvinylpyrrolidone (PVP) and polyacrylic acid (PAA) in polymer composites for radiation treatment using molecular dynamics (MD) and Monte Carlo (MC) simulations. Five simulation models were constructed by varying the composition ratio of PVP and PAA (1/9, 3/7, 5/5, 7/3, 9/1), and the solubility parameter (δ) and cohesive energy density (CED) were calculated by performing MD simulations. The MC simulation was used to evaluate radiation absorption distributions based on the intermolecular binding energy. The results showed that PVP exhibited good compatibility with PAA from the perspective of δ and CED, and the binding energy analysis revealed that the thermal properties of the system changed as the radiation dose increased. The study provides valuable insights into the effect of mixing ratios on the properties of polymer composites for radiation treatment.
