Applications of Predictive Modeling for Selected Properties of Polymers
摘要
Polymers have wide-ranging applications in plastics, textile fabrication, rubber manufacturing, construction materials, upholstery, vehicles, microelectronic device insulation, and military materials. Recent advancements in polymer research emphasize the increasing importance of comprehending their behavior across diverse applications. In this chapter, predictive modeling of polymers is reviewed, leveraging information from repeat units to estimate properties through quantitative structure–property relationship (QSPR) modelsQuantitative structure-property relationship (QSPR) models. The review encompasses a range of models for predicting polymer flammability, including parameters like total heat release, heat release capacity, and percentage char formation. Additionally, predictions related to solubility, intrinsic viscosity, glass transition temperature, refractive index, and some aspects of biopolymers are also reviewed. This chapter provides comprehensive insights into state-of-the-art QSPR techniques and their application in predictive modeling for polymers. Exploring the interplay between polymer structure and key properties enables a more nuanced approach to material design, ensuring advancements across various industries. The best available QSPR models are also scrutinized in this chapter.