A Framework for Green Catalytic Process Intensification in Industry

Thesis Abstract

Industrial chemical production faces intensified pressure to reduce energy use, waste generation, and environmental impact while maintaining economic viability. Traditional catalytic processes often balance selectivity and conversion at the expense of sustainability, leading to inefficiencies that impede scale-up and long-term competitiveness. The study develops a framework for Green Catalytic Process Intensification (GCPI) in industry by integrating principles of process intensification, green chemistry, and catalysis theory to systematically reduce material and energy intensity, emissions, and lifecycle costs. The aim is to establish a structured, evidence-based framework that enables practitioners to redesign catalytic processes toward higher intensification, lower environmental footprint, and improved economic performance. Specific objectives are to (i) diagnose typical bottlenecks in industrial catalytic processes under sustainability constraints, (ii) identify and categorize catalyst design and process-operating parameters that drive green intensification, (iii) develop a theory-driven model linking catalyst performance, process configuration, and environmental impact metrics, (iv) validate the framework through case studies with industrial partners, and (v) provide decision-support tools and best-practice guidelines for implementation. A mixed-methods research design is employed. The quantitative component analyzes data from five industrial case studies across petrochemical, fine chemicals, and polymer sectors, each comprising at least three distinct catalytic reactions. For each case, data are collected on energy consumption, catalyst loading, space-time yield, selectivity, waste generation, and emissions over a six-month operational window. Regression analysis and ANOVA are applied to quantify relationships between catalyst design variables (e.g., active site tuning, phase composition), process variables (temperature, pressure, residence time), and sustainability outcomes (E-factor, CO2-equivalents, energy intensity). The qualitative component uses semi-structured interviews with 20-25 process engineers and sustainability managers and thematic analysis to capture organizational, regulatory, and operational factors affecting implementation. The study draws on organizational theory and the theory of sustainable transitions, synthesizing them into a Green Catalytic Process Intensification framework (GCPI framework) with explicit hypotheses about mediating effects of process configuration and catalyst design on environmental performance and economic viability. Data collection instruments include (i) a standardized data extraction form for plant operating data, (ii) a catalyst property matrix capturing surface area, acidity/basicity, dispersion, and stability, (iii) interview guides aligned with the GCPI constructs, and (iv) a life cycle assessment (LCA) data template for cradle-to-gate evaluation. Instrument validity and reliability are ensured through pilot testing, intra- and inter-rater reliability checks for qualitative coding (Cohen’s kappa), and triangulation across plant data, lab tests, and stakeholder interviews. The analytical framework integrates quantitative results with qualitative insights to refine the GCPI model, employing structural equation modeling to test proposed causal pathways between catalyst specifications, process intensification actions, and sustainability metrics. Sensitivity analyses assess robustness to data loss and variability in operational conditions. A subset of reactions is subjected to detailed kinetic modeling and process simulation to illustrate the impact of redesign strategies on energy and material balances. Expected findings indicate that targeted catalyst modifications combined with compact reaction networks and intensified heat/mass transfer configurations yield significant reductions in energy intensity (up to 25–40%), waste generation (35–50% reduction in E-factor for select reactions), and emissions, while preserving or enhancing selectivity and yield. The GCPI framework is anticipated to reveal critical mediators such as reactor integration, heat exchange optimization, and in situ catalyst regeneration as leverage points for achieving demonstrable sustainability gains at scale. The study contributes to knowledge by operationalizing a theory-driven, practically implementable framework that links catalyst science with process engineering and organizational adoption, enabling measurement, planning, and execution of green intensification strategies in diverse industrial settings. Practical recommendations include decision-support tools, prioritization matrices for catalyst/process redesign, and roadmaps for pilot-scale demonstration and technology transfer. The main conclusion is that GCPI provides a coherent, quantifiable pathway to align catalytic performance with sustainability imperatives and economic goals. Recommendations emphasize early-stage integration of LCA, kinetic modeling, and organizational readiness assessment, along with the development of industry-wide benchmarks and collaboration platforms to accelerate adoption and continuous improvement.