Demonstrating an Ontological Framework for Sustainable PVC Material Science: A Holistic Study Combining Granta EduPack, Bibliometric Analysis, Thematic Analysis, Content Analysis, and Protégé

Abstract

Addressing the growing need for sustainable innovation in PVC materials, this study presents an illustrative framework that develops and demonstrates an ontological system that integrates lifecycle simulation using Granta EduPack, systematic literature analysis (including bibliometric, thematic, and content analytics) of peer-reviewed publications, and Protégé-based semantic reasoning, and their combination, in a holistic manner. Material and use-phase data for PVC, HDPE, PP, PET, and FRP cooling-tower components were sourced from ANSYS Granta EduPack Level-3 Polymer Sustainability 2023 R2 Version; 23.2.1, and a systematic analysis of the literature was then encoded as ontology classes, properties, and individuals following the Seven-Step ontology development method. Eco-audit simulations, standardised to a functional unit of 1 kg cooling tower fill material, reveal that the use phase dominates environmental impact (67 MJ primary energy, ~80% of total lifecycle), while material production and end-of-life recycling contribute ~15% and credits of ~900 MJ and 28 kg CO2 via recycling offsets. Ontology reasoning with corrected SWRL rules and SPARQL queries classifies VirginPVCRef and PVC10ES as strong structural materials (tensile strength ≥ 40 MPa), identifies PVCRH40 as high-moisture-risk (water absorption > 0.10 g/g), and ranks hydro-thermal dechlorination (recyclability 0.90) over mechanical recycling (0.55). A systematic analysis of 40 Scopus-indexed publications (2015–2025) highlighted key themes in recycling technologies, LCA emissions, additive toxicity, ontology frameworks, machine learning integration, circular economy policy, and cooling-tower applications. Demonstrated via a simulation-based cooling-tower case study, hybrid PVC-FRP designs yield the highest justified Material Sustainability Performance Index (MSPI), outperforming PVC-only and FRP-only alternatives. This framework provides a conceptual decision-support tool for exploring PVC material optimisation, illustrating pathways to enhancing circularity and environmental responsibility in industrial applications. The proposed framework is, therefore, not intended as a validated decision-support tool, nor does it claim analytical optimisation or predictive performance but rather serves as a method of illustration that shows how domain knowledge can be formally structured using ontology principles linked to simulation representations, and that was examined for internal logical consistency.