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VOL. 9, ISSUE 1 (2025)
Statistical Thermodynamics of PHA degradation: Pathways for enhanced biodegradability
Authors
Ajay Kuvar, Dr. Vikas Dubey
Abstract

Abstract

Polyhydroxyalkanoates (PHAs) are biodegradable polymers with promising applications as sustainable alternatives to conventional plastics. This review explores the degradation pathways of PHAs through the lens of statistical thermodynamics, integrating computational modeling and predictive analytics to provide a comprehensive understanding of the factors governing PHA breakdown. Molecular dynamics simulations and quantum chemical calculations reveal the influence of polymer composition, environmental conditions, and enzymatic activity on the thermodynamic stability and degradation kinetics of PHAs. Machine learning algorithms, such as random forests and artificial neural networks, have emerged as powerful tools for predicting PHA biodegradability, with models trained on environmental datasets showing high accuracy in forecasting degradation trends. Experimental studies align with computational findings, confirming the dominant roles of temperature, microbial activity, and polymer crystallinity in the degradation process. However, challenges remain in bridging the gap between theoretical predictions and real-world degradation behavior due to the complexity of environmental factors and microbial interactions. Future research should focus on developing hybrid approaches that integrate computational modeling with experimental validation, expanding datasets for machine learning, and investigating the role of microbial consortia and enzymatic pathways in accelerating PHA degradation. By leveraging interdisciplinary insights from statistical thermodynamics, molecular simulations, and predictive analytics, this review contributes to the design of optimized PHA materials with enhanced biodegradability, paving the way for eco-friendly applications in packaging, biomedicine, and beyond.
Pages:19-28
How to cite this article:
Ajay Kuvar, Dr. Vikas Dubey "Statistical Thermodynamics of PHA degradation: Pathways for enhanced biodegradability". International Journal of Chemistry Studies, Vol 9, Issue 1, 2025, Pages 19-28
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