Research Interests: kinetic modeling, dynamic optimization, biomass valorization, techno economic optimization, Bayesian uncertainty quantification, process systems engineering, sustainability, biomass valorization
Over the last few decades, excessive reliance on fossil-derived chemicals has led to serious environmental concerns, including pollution and resource depletion. Growing concerns about the environmental footprint of chemical production has spurred an increasing interest towards a more sustainable approach to resource utilization and greener alternatives for energy, fuels, and chemicals. The global transition toward carbon-neutral chemical manufacturing demands rigorous modeling frameworks that integrate reaction kinetics, process design, and economic feasibility under uncertainty.
My PhD research focuses on developing robust steady state process models and/or plant-wide models along with techno-economic analysis frameworks, to identify and establish scalable and economically viable technologies for the conversion of lignocellulosic biomass into value-added products. These include monosaccharide platforms (C5 and C6 sugars), formaldehyde-free bio-adhesive derived from kraft lignin and soy protein isolate, among others.
Advanced Kinetic Modeling and Parameter Estimation
I developed and validated catalyst-sensitive kinetic models for biomass depolymerization reactions. Unlike traditional approaches, these models embed catalyst-dependent yield expressions that account for both structural heterogeneity and nonlinear yield behavior. These models are validated using laboratory-scale experimental data and refined via advanced parameter estimation through dynamic optimization. The formulations offer predictive flexibility across diverse operating conditions and reactor configurations, enabling efficient simulation and design of conversion units. This work aligns with funding goals of the NSF CBET, DOE BETO, and USDA AFRI programs.
First-Principles Process Modeling and Techno-Economic Optimization
As part of my research, I have developed comprehensive plant-wide process models for the entire biomass conversion pathway using the first-principles approaches for major upstream and downstream unit operations, implemented in the Aspen simulation environment.
Another key aspect of this work involves assessing commercial feasibility of the proposed biomass conversion pathways. The process models are embedded within rigorous techno-economic analysis frameworks, where economic performance indicators such as net present value (NPV) are maximized, while cost-based metrics like levelized cost of production (LCOP) or minimum selling price (MSP) of the target bio-based chemicals are minimized. This combined approach of process design, simulation and optimization is directed toward achieving industrial scalability while aligning with broader sustainability goals, that constitute core priorities for agencies such as DOE EERE, NETL, USDA NIFA and EPA STAR.
In my work, I employed a multi-software approach combining MATLAB and the Aspen environment (Aspen Plus, AEA, APEA) to model the full workflow—from kinetic modeling to techno-economic optimization. Kinetic parameters were estimated in MATLAB and used to build a steady-state process model in Aspen Plus. The model was integrated with AEA for the design of a feasible heat exchanger network and APEA for techno-economic analysis (TEA). To enable cost-based optimization, economic correlations and equations were implemented in Aspen Plus, and SQP-based optimization was performed in the EO environment.
Uncertainty Quantification for Sustainable Design
Due to compositional heterogeneity in biomass feedstocks, Bayesian uncertainty quantification is employed to ensure reliable model predictions and identify robust operating conditions. This approach enables resilient process design under input uncertainty, improving the technology readiness for commercial adoption. It is also crucial for ensuring adequate predictive accuracy and reliability of computational models used in lignocellulosic biomass conversion processes.
Applications
The global wood-panel industry relies heavily on formaldehyde-based adhesives, which pose environmental and health hazards. Hence, my research focuses on manufacturing bio-adhesive using kraft lignin (KL) and soy protein isolate (SPI), through a two-step process, (1) Base-catalyzed depolymerization (BCD) of KL to partially degraded lignin (D-lignin) followed by (2) SPI crosslinking with D-lignin to produce the adhesive. I have developed a kinetic model for the BCD of KL, in a specific approach so that individual species can be identified and quantified as needed for their separation and economic evaluation. In addition, I have also developed a plant-wide model and performed techno-economic optimization for the lignin-isolated soy protein adhesive (LISPA) production process. This sustainable alternative bio-based adhesive LISPA has direct relevance for the wood-products industry and supports regulatory efforts by EPA and health-focused initiatives.
Xylose (C5) and glucose (C6) sugars are two of the most important platform intermediates generated through lignocellulose conversion. Concentrated acid hydrolysis (CAH) offers near-theoretical sugar yields and has gained renewed interest due to advances in laboratory-scale acid recovery, lower operating temperatures, and broad feedstock compatibility. I developed the plant-wide model for the CAH by incorporating steps like decrystallization of lignocellulosic biomass before CAH and recycling of the acid catalyst to improve economic feasibility of the overall valorization method. In addition, techno-economic optimization has been conducted to maximize NPV by optimizing key design variables including reactor dimensions as well as the key operating variables such as residence time, catalyst concentration and reaction temperature. This integrated approach fills a critical gap in literature and is well-aligned with USDA and DOE BETO initiatives.
Future Research Goals
In summary, the research on process modeling and techno-economic optimization of various biomass conversion processes results in significant scientific and technological advancement towards sustainable development, energy security and economic growth, thus reducing dependence on finite fossil fuels and helping in mitigating climate changes as well. Post-PhD, I aim to extend my research to:
My work as part of the USDA-funded Mid-Atlantic Sustainable Biomass for Value-Added Products Consortium (MASBio) project has equipped me with collaborative and interdisciplinary experience essential for cross-sector partnerships. I am especially motivated to contribute to R&D initiatives sponsored by NSF, DOE, EPA, USDA, and NETL that seek to accelerate the transition toward sustainable and environmentally-safe low-carbon technologies.
References: