In this project, CO2 capture from refinery off-gas in solvent blends developed in PI’s lab in IIT Delhi will be used for efficient capture and regeneration using high-gravity (Higee) technology in BPCL R&D where a demonstration pilot plant is envisaged for converted this captured CO2 to alcohols over IIT Delhi developed catalysts and hydrogen from an electrolyser (eH2). The demo pilot plant at BPCL will have a hydrogenation reactot followed by alcohol to jet conversion reactor. The process simulations for the scale-up of the CO2 capture and catalytic conversion to alcohols in slurry phase reactor followed by their catalytic conversion to sustainable Jet fuel (ATJ) will be performed at IIT Delhi to identify the most energy efficient pilot plant design.
This research work aims at photocatalytic reduction of carbon dioxide (CO2) in an aqueous medium. The study explores the synergistic application of dual functionalized ionic liquids (DFILs) in conjunction with copper nanodots (CuNDs) on transition metal catalysts such as WO3, MoS2, TiO2, ZnO, BiVO4 and Bi2MoO6 for the photocatalytic reduction of CO2 in an aqueous medium. The synthesized DFILs, serving as both solvents and stabilizers, facilitate the dispersion of CuNDs onto the semiconductor catalyst surface, enhancing catalytic efficiency. The modified oxygen-vacancy semiconductor catalysts exhibit superior photocatalytic activity, attributed to their unique electronic structure and increased surface area. The photocatalytic reduction of CO2 in this system leads to the selective production of valuable chemicals such as methanol, ethanol, carbon monoxide, hydrogen, and methane. It also foster researchers and ideas exchange between IITD and Texas A&M University, USA.
The atmospheric three step closed-loop iodine-sulfur (I-S) thermochemical process is a promising route for hydrogen production by water splitting. This project focuses continuous running of the integrated closed loop of all the three sections set-up at IIT Delhi and enhance the individual reaction performances by integrating real-time data acquisition with computational modeling to optimize catalysts performance and reactors efficiency.
The development of sustainable technologies for bio-oil upgradation is critical for reducing dependence on fossil fuels and mitigating environmental challenges. This project proposes an integrated catalytic approach combining aqueous phase reforming (APR) and hydrodeoxygenation (HDO) for the direct conversion of lignin-derived bio-oil into fuel-range hydrocarbons. A dual-function catalyst system will be designed, where the APR-active component will generate in situ hydrogen from the aqueous phase of bio-oil, while the HDO catalyst will facilitate selective oxygen removal, minimizing the need for external hydrogen sources. The project will establish structure-activity relationships, optimize process conditions, and develop a combined APR-HDO operation in a continuous flow system and also healthy collaboration between IITD and TU Delft.
This consultancy project aims to study the performance and analyze the environmental benefits of replacing white seal with active zinc oxide, focusing on its impact on product efficiency, sustainability, and reduced environmental footprint.
This project focuses on the removal of sulfide and sulfur compounds from carbide plant wastewater, specifically targeting the lagoon and decanter outlet to improve water quality and meet environmental discharge standards.
This project focuses on enhance CO₂ activation and hydrogenation by developing carbometalated pincer-type complexes with appended Lewis acidic functionalities in the hydrogenation catalyst. The study involves ligand design and metal complex synthesis, followed by comprehensive structural and electronic characterization at HUJI. Reactivity studies will include CO₂ hydrogenation to formate and methanol under varying pressures and temperatures, with mechanistic insights derived from kinetic isotope effect analysis and in-situ spectroscopic techniques. Catalyst immobilization on solid supports will be explored to facilitate continuous-flow operation in packed-bed reactors, optimizing turnover frequencies and catalyst stability.
The project focuses on the development and deployment of air-based portable oxygen concentrators to support COVID and COPD patients, aiming to provide 3000 units under the Mission Bharat O2 Challenge.
The main intent of this project is integrated CO2 capture and conversion to methanol at milder process conditions compared to the industrial methanol production from syngas. Rational design of a system of mixtures of polyamines and ionic liquids, having negligible volatility, will be able to absorb CO2 from industrial process streams. The metal complexes, under slurry phase conditions, catalyzed the reduction of the absorbed CO2 to methanol. Higher CO2 absorption capacity is achieved under aqueous conditions as compared to anhydrous conditions.
This project developed a bifunctional FeCo catalyst that effectively utilizes CO₂ as a carbon source without additional H₂. By leveraging in situ spectroscopy techniques such as X-ray absorption fine structure and near-edge XAFS at UCL, we explored the atomic-scale structural changes of metal oxide and carbide phases during FT synthesis. The insights were then used in the development of a kinetic model, validated using a high-pressure plug flow reactor at IIT Delhi.
The overall objective of this project is to develop a systematic and combined thermodynamic, kinetic, mechanistic, and structure-activity relationship study of HDO reactions for development of a sustainable and industrially viable process along with researchers exchange interaction between IITD and UQ.
The iodine-sulfur (I-S) thermochemical process is a promising method for large-scale hydrogen production, but its efficiency depends on precise control of reaction kinetics, catalyst performance, and system integration. This project focused on the simulation and experimental validation of a closed-loop I-S process to optimize hydrogen yield and process stability. A multi-scale modeling approach is employed to simulate key reaction steps, including sulfuric acid decomposition, under realistic operating conditions. Real-time data acquisition is used to refine model predictions and improve process efficiency. By integrating simulation with experimental feedback, this study aims to enhance system performance, mitigate catalyst deactivation, and develop strategies for efficient hydrogen production.
The iodine-sulfur (I-S) thermochemical cycle is a promising method for sustainable hydrogen production, requiring high-temperature processing and corrosion-resistant materials. This project focuses on the development and demonstration of a closed-loop I-S process using an all-quartz/glass assembly to ensure chemical compatibility and system durability. We will design and fabricate a fully integrated setup to perform continuous sulfuric acid decomposition and hydrogen iodide decomposition, the key steps in the I-S cycle. Computational modeling and experimental validation will be employed to optimize reaction conditions, catalyst stability, and heat management. Real-time data acquisition will enable process monitoring and refinement for enhanced efficiency. By demonstrating the feasibility of an all-quartz/glass assembly, this work aims to advance hydrogen production technology, ensuring long-term operational stability and corrosion resistance. The findings will contribute to scaling up the I-S process for clean hydrogen generation.
This project focused on an integrated approach for converting lignocellulosic biomass into bioethanol and value-added chemicals using novel bio-chemo-catalytic strategies. By synthesizing functionalized acid catalysts and optimizing process conditions, we aim to enhance biomass hydrolysis efficiency and improve bioethanol yields.
This project focuses on the design and development of a sulfuric acid concentrator and its internals for a bayonet converter system. The objective is to enhance acid concentration efficiency, optimize heat integration, and ensure reliable performance under industrial operating conditions.
This project focused on the extensive characterization of supported metallic oxide catalysts to evaluate their stability and performance in the sulfuric acid decomposition section. A combination of advanced spectroscopic, microscopic, and thermal analysis techniques will be used to investigate catalyst structure, metal-support interactions, and deactivation mechanisms. The study will assess key properties such as redox behavior, surface acidity, and resistance to sintering under reaction conditions. Experimental data will be complemented with kinetic modeling to understand performance trends and optimize catalyst design. By identifying robust and efficient catalysts, this work aimed to enhance the durability and effectiveness of the I-S cycle, contributing to the development of sustainable and scalable hydrogen production technology.
This Project Monograph outlines the development and implementation of advanced coal technologies to enhance the efficiency, environmental sustainability, and economic viability of coal utilization. The focus is on innovative methods for clean coal technologies, including carbon capture and storage (CCS), advanced combustion techniques, and coal gasification. The project will investigate the integration of these technologies into existing infrastructure, with an emphasis on reducing greenhouse gas emissions and improving energy conversion efficiency. Additionally, novel approaches for coal beneficiation and waste-to-energy conversion will be explored to maximize resource utilization. The overall goal is to drive the development of next-generation coal technologies that align with global energy and environmental goals, ensuring sustainable coal use in the future.
The existing syngas conversion methods yield a wide range of products hence have proved to be prohibitively expensive and inefficient. Two fundamental issues continue to be discussed in literature: namely, (i) the state and location of the active form of metal catalysts, and (ii) the mechanism of the reaction. Thus, the development of a less expensive and more efficient catalytic conversion process is of great interest and has technological importance.
The catalytic decomposition of sulfuric acid is a key step in the iodine-sulfur (I-S) thermochemical cycle for hydrogen production. Understanding the reaction mechanism is essential for optimizing catalyst performance and improving process efficiency. This project focuses on detailed mechanistic studies of the catalytic sulfuric acid decomposition to identify active sites, reaction intermediates, and rate-determining steps. A combination of experimental and computational approaches will be employed to investigate reaction kinetics, surface interactions, and catalyst stability under high-temperature conditions. Spectroscopic and microscopic techniques will be used to analyze catalyst structure and deactivation pathways. Density Functional Theory (DFT) calculations and kinetic modeling will complement experimental findings to develop a comprehensive reaction mechanism. By providing fundamental insights into the catalytic process, this study aims to enhance catalyst design and operational strategies for the I-S cycle, contributing to more efficient and sustainable hydrogen production.
The catalytic decomposition of sulfuric acid is a crucial step in the iodine-sulfur (I-S) thermochemical cycle for hydrogen production, requiring efficient catalysts that can withstand high temperatures and corrosive environments. This study focuses on investigating the catalytic performance, reaction mechanisms, and stability of various metal oxide-based catalysts for sulfuric acid decomposition. A combination of experimental and computational approaches will be employed to analyze reaction kinetics, active site behavior, and deactivation pathways. Spectroscopic and microscopic techniques will be used to characterize catalyst structure and interactions under operating conditions. Density Functional Theory (DFT) calculations and kinetic modeling will complement experimental findings to provide mechanistic insights and optimize catalyst design. By enhancing the understanding of catalyst behavior and reaction mechanisms, this study aims to improve the efficiency and durability of the sulfuric acid decomposition step, contributing to the advancement of the I-S cycle for sustainable hydrogen production.
The direct conversion of methane to gasoline-range hydrocarbons is a promising alternative for utilizing natural gas and mitigating flaring emissions. This study explored a methanol-assisted pathway for methane-to-gasoline conversion using bi-functional zeolite-based catalysts. By leveraging methanol as a key intermediate, the process aims to enhance hydrocarbon chain growth while improving selectivity toward gasoline-range products. Catalysts with optimized metal-zeolite interactions were synthesized and characterized, experimental investigations with kinetic modeling and mechanistic studies to elucidate reaction pathways were some of the objectives. The influence of zeolite topology, acidity, and metal function on product selectivity and catalyst durability will be systematically evaluated. This study provided insights into the role of methanol in methane conversion and develop efficient catalyst formulations for sustainable gasoline production from natural gas resources.
This project focused on the synthesis, characterization, and activity testing of tailored large-pore molecular sieve catalysts to optimize their performance in key petrochemical transformations. By correlating catalyst structure with performance, this study aims to develop efficient molecular sieves for selective and sustainable conversion processes in the petrochemical industry, contributing to advancements in green chemistry and process intensification.
This study explores alkylation and hydrogenation reactions over solid acid catalysts, focusing on optimizing acidity, metal dispersion, and reaction conditions for improved selectivity and stability. Advanced characterization and kinetic analysis will provide insights into structure-performance relationships, enabling the development of efficient and sustainable catalytic processes.
This project aimed to determine the synergistic role of ILs in enhancing catalytic processes by improving reactant solubility, stabilizing active sites, and modulating acidity to achieve higher activity and selectivity. A range of ILs with varying cation-anion combinations were investigated for their impact on catalytic performance in key transformations, including acid-base-catalyzed, and metal-catalyzed reactions. Advanced spectroscopic and microscopic techniques were employed to study IL-catalyst interactions, surface modifications, and their effect on reaction kinetics. Computational modeling complemented the experimental findings to provide deeper insights into mechanistic pathways.
This study aimed to investigate their catalytic performance in key transformations such as alkylation, dehydration, and olefin conversion under industrially relevant conditions. Catalysts were synthesized using hydrothermal and post-synthetic modification techniques to optimize pore architecture, acidity, and metal dispersion. Advanced characterization techniques, including XRD, BET, NH₃-TPD, FTIR, and electron microscopy, will be employed to correlate structural properties with catalytic activity. Reaction kinetics, product selectivity, and deactivation mechanisms will be systematically analyzed to enhance catalyst stability and efficiency.
Abstract: This proposal aims to capture and convert the CO2 generated in the existing coal-to-methanol pilot plant into more methanol, thus showcasing the CCU technology platform and providing the pathway to net-zero. The selective capture of CO2 from both oxygen-rich flue gas as well as oxygen-deficient syngas will be demonstrated. The conversion of CO2 to methanol will be done using H2 generated from a water electrolyser. The CO2 hydrogenation catalyst developed by IIT Delhi will be scaled up in two different stages along with external suppliers to meet the requirements of the pilot plant. R&D work aligned to the project will be carried out at IIT Delhi to complement the pilot plant activities, while also engaging in R&D for future developments. Catalysts for CO2 hydrogenation, reverse water gas shift reaction, and methanol-to-DME will be developed. The design and optimization of novel process schemes and reactor configurations would be done by modeling and process intensification studies.
The gasoline engines are operated under stoichiometric conditions because the three-way catalyst placed downstream results in the optimal conversion of CO, NOx, and hydrocarbons (HCs) under these conditions. However, based on a few limited experiments, it was recently showed that for CH4 as the fuel, the optimal conversion of the three pollutants occurs rich of stoichiometry. Since the optimal lambda ratio could itself depend on the operating conditions, it is important to understand the effect of gas temperature and composition on the catalyst performance for various lambda ratios. Hence, the objectives of the present project are to study the effect of lambda ratio on the simultaneous conversion of NOx, CO, and CH4 over a Pd-based catalyst, and to study the effect of temperature and gas composition on the optimal lambda ratio. Moreover, it is proposed to measure the activity of the catalyst towards various reactions and deduce their role in the direct / indirect reduction of NOx.
This study focuses on engineering complex metal oxide catalysts at the nanoscale, utilizing a combined experimental and theoretical approach to enhance catalytic activity, stability, and resistance to sintering under extreme conditions. A series of tailored metal oxide catalysts will be synthesized and characterized using ex-situ and in-situ spectroscopic techniques to elucidate their structural, textural, and electronic properties. Density functional theory (DFT) calculations will complement experimental findings by providing insights into reaction mechanisms, active site interactions, and energy barriers associated with sulfuric acid decomposition. By integrating nanoscale catalyst design with mechanistic modeling, this study aims to develop next-generation catalysts with improved performance and longevity, facilitating efficient and sustainable hydrogen production via thermochemical cycles.
We aim to develop a catalytic technology for direct conversion of natural gas to methanol and ethanol, which are widely used as gasoline additive and to produce a range of fine and commodity chemicals. We will employ various strategies of modifying the metal-organic frameworks to increase the electrophilicity of active metal-sites and to enhance the chemoselectivity of the catalytic oxidation of methane and ethane. After initial catalyst development and activity testing in a batch reactor, we will subsequently optimize the process parameters and investigate the detailed kinetics in a laboratory scale flow reactor and develop a kinetic model which can be used in the design of a pilot scale reactor system. The success of the proposed research would thus significantly benefit GAIL's business segments such as hydrocarbon, petrochemical and polymer, while also ensuring health, safety, and prioritizing environmental stewardship.
This proposed study focuses on the development of hybrid antimicrobial coatings for food packaging materials by combining natural and synthetic components. Natural antimicrobial agents such as essential oils and chitosan will be integrated with synthetic polymers to create coatings that offer enhanced antimicrobial activity, durability, and mechanical strength. The coatings will be characterized for their structural, antimicrobial, and mechanical properties, and their effectiveness against common foodborne pathogens will be tested under real-world conditions. The goal is to develop sustainable, high-performance coatings that improve food safety and shelf life while maintaining environmental and regulatory standards.
This study investigates the effect of oxygen functionality and partial exfoliation on the activity of carbon electrodes for the electrooxidation of sulfur dioxide in sulfuric acid. Carbon electrodes with varying degrees of oxygen functional groups and exfoliation will be synthesized and characterized using techniques such as XPS, Raman spectroscopy, and BET surface area analysis. Electrochemical performance will be evaluated through cyclic voltammetry and chronoamperometry to determine the impact of oxygen groups and exfoliation on SO₂ oxidation efficiency and stability. The findings aim to optimize carbon electrode materials for more efficient sulfur dioxide electrooxidation, with applications in industrial sulfuric acid production and environmental management.
This study explores the storage and stability characteristics of Hydrogen Colloidal Gas Aphrons (CGAs) loaded with treated metal hydrides for potential applications in hydrogen storage. CGAs, which are stable microbubbles of gas dispersed in a liquid phase, will be synthesized and loaded with treated metal hydrides to enhance hydrogen storage capacity and release kinetics. The stability of these CGAs will be evaluated under various storage conditions, including temperature, pressure, and time, using techniques such as dynamic light scattering, gas chromatography, and hydrogen absorption/desorption measurements. The goal is to develop efficient, stable, and safe hydrogen storage systems that offer enhanced performance for renewable energy applications.
The present project is proposed with a purpose of developing and demonstrating indigenous technology with India’s own coal resources. In this project, we propose to set up a pilot plant for 1 tonne per day methanol production, based on syn gas that would be produced in an existing pilot plant gasifier in Thermax’s premises in Pune. The catalyst development, reactor engineering, and scale-up that will go into the design and reliable and optimized operation of this pilot plant is a cogent part of the project plan. Finally, the proposed development of this indigenous technology will be interlaced with development of new catalyst and process concepts, enabling intensification of the proposed process for better and more optimized operation.
The long-term stability of catalysts is critical for their practical application in the sulfur-iodine (S-I) thermochemical cycle for hydrogen production. This study focuses on prolonged stability tests of IIT-D-developed catalysts for the HI decomposition reaction, a key step in the S-I cycle. The catalysts will be subjected to extended operation under industrially relevant conditions to evaluate their activity, deactivation mechanisms, and structural integrity. Characterization techniques such as XRD, BET, NH₃-TPD, TEM, and in-situ spectroscopy will be employed to monitor changes in crystallinity, surface area, acidity, and metal dispersion over time. Additionally, kinetic studies and post-reaction analyses will provide insights into coke formation, sintering, and chemical degradation pathways. The findings from this study will aid in optimizing catalyst formulations and process conditions, ensuring enhanced durability and efficiency for sustainable hydrogen production via the S-I cycle.
This study focuses on the development of advanced technologies for the production of synthetic liquid fuels through process intensification. By optimizing reaction conditions, enhancing catalyst performance, and integrating novel engineering approaches, the aim is to improve the efficiency and sustainability of synthetic fuel production processes such as Fischer-Tropsch synthesis and biomass-to-liquid (BTL) conversion. The study will explore innovative reactor designs, advanced heat integration, and continuous flow systems to minimize energy consumption and maximize product yield. Through experimental analysis and computational modeling, this research aims to develop scalable, cost-effective, and environmentally friendly processes for synthetic liquid fuel production, supporting the transition to sustainable energy systems.
The Composite Applications Laboratory and Research Program at the Department of Chemical Engineering, IIT Kharagpur, focuses on the development and application of advanced composite materials for various industrial and engineering applications.
This study investigates hydrogen storage using colloidal gas aphrons (CGAs) and CGAs loaded with metal halides to enhance hydrogen storage capacity and stability. CGAs, consisting of microbubbles of hydrogen gas dispersed in a liquid phase, will be optimized for efficient hydrogen absorption and long-term storage. Metal halides, known for their hydrogen-absorbing properties, will be incorporated into the CGAs to improve hydrogen uptake and release dynamics. The stability of these hydrogen-loaded CGAs will be evaluated under various conditions, including temperature, pressure, and time, using techniques such as gas chromatography and hydrogen release measurements. The goal is to develop safe, efficient, and scalable hydrogen storage systems for renewable energy applications.