Key Research Areas :Biofuels, Computational Fluid Flow and Heat/Mass Transfer, Density Functional Theory, Non-Newtonian Fluids
We have been doing bench-scale studies on pyrolysis of single and co-feed samples that include not only lignocellulosic biomass (such as Delonix regia, Polyalthia longifolia, Pinewood sawdust, algal biomass, etc.) but also synthetic plastic wastes (such as butyl tube rubber, polypropylene bags, etc.). We consider different types of pyrolysis viz. non-catalytic, catalytic and hydro-catalytic pyrolysis in tubular packed bed reactors of different sizes. In such studies, we also consider effects of pyrolysis temperature, co-feed fraction effects, and catalytic effects in addition to the pyrolysis environment. Prior to the pyrolysis experiments, thorough analysis of dry samples of biomass and their co-feed materials are demonstrated through standard protocols by reporting proximate analysis, ultimate analysis, thermogravimetric analysis, x-ray diffraction, field emission scanning electron microscope, bulk flowability properties, fuel properties, etc. On completion of pyrolysis, the solid char materials are also been analysed for properties which are mentioned above for feed samples. The pyrolytic liquid products are purified to collect only organic fractions for which extensive advanced materials characterizations have been done and reported that include FTIR, proton NMR, GCMS, fuel properties, proximate and ultimate analysis along with physical properties such as pH, density, viscosity, moisture content, etc. Finally, our aim in experimental part is to enhance the yield and quality of pyrolytic liquid not only by catalytic activity and tuning the operation parameters but also make innovative design of setups for the same purpose. In addition to pyrolysis, we also do hydrodeoxygenation of pyrolytic bio-oil and liquefaction of wet biomass.
Some of the prototype details of our experimental studies on pyrolysis are provided below (Cases 1 – 4).
Case-1. Non-Catalytic Pyrolysis of Delonix Regia Biomass at Different Temperatures:
Highlights
Case-2. Non-Catalytic, Catalytic and Hydro-Catalytic Pyrolysis of Delonix Regia:
Schematic presentation of feed and product materials of the process
Highlights
Case-3. Co-Pyrolysis of Delonix Regia and Pinewood Sawdust in Batch Tubular Reactor:
Highlights
GCMS of bio-oils obtained by single and co-feed pyrolysis of DR and PW in different weight ratios with repability by three runs for each case.
Proton NMR of bio-oils obtained by single and co-feed pyrolysis of DR and PW in different weight ratios.
Case-4. Co-Pyrolysis of Delonix Regia and Butyl Rubber Tube Waste:
Highlights
Schematic of setup used for co-pyrolysis of DR and TW.
GCMS chromatogram of bio-oil obtained by pyrolysis of different co-feed fractions of DR and TW.
Thermogravimetric and differential thermogravimetric analysis of Delonix Regia and tube waste
We have been utilizing computational approaches such as density functional theory (DFT) and computational fluid dynamics (CFD) so that to apply them for the problems of renewable energy which include pyrolysis, hydrodeoxygenation, liquefaction, etc. DFT is utilized to understand the decomposition/degradation mechanisms and kinetics of not only model compounds of bio-oil but also monomers of biomass samples. By such DFT studies, we propose the best possible pathway for a desired product from a given feed sample in different reaction environments such as gaseous, aqueous and supercritical phases. These DFT studies we do not only non-catalytic but also for catalytic reactions of renewable energy cases. Some of the prototype results of a few of our DFT studies are provided below (Cases 5 – 6). Finally, the main objective of our DFT studies to obtain kinetics of reactions associated with HDO of bio-oil along with pyrolysis and liquefaction of biomass samples that are consistent with the experimental counterparts.
Further we also do computational studies using CFD tools for hydrodeoxygenation of model compounds of pyrolysis bio-oil. The required reaction kinetics for these CFD studies, either we adopt from the literature or develop ourselves using DFT. Obviously we do required validation of results with the experimental counterparts. Some of the prototype results of our CFD studies on HDO of bio-oil are provided below (Case 7). Finally, the aim of our CFD studies to obtain optimized reactor design along with normal operational parameters for the cases of HDO of entire bio-oil rather for a few model compounds in addition to the cases of pyrolysis and liquefaction of biomass that are consistent with not only the existing experimental literature but also with our own experimental results.
Case-5. DFT Study on Catalytic Hydrodeoxygenation of 2-Hydroxybenzaldehyde:
Schematic representation of reaction on Pd surface and Model of Pd(111) catalyst
The reaction schemes of conversion of 2-hydroxybenzaldehyde over Pd(111) catalyst surface.
Potential energy surface for the conversion of 2-hydroxybenzaldehyde over Pd(111) surface using reaction schemes 1-4.
Case-6. DFT Study on Gas Phase Decomposition of Bio-oil Oxygenated Compounds over Palladium Catalyst Surface:
Graphical abstract for DFT study on gas phase decomposition of bio-oil model compounds on Palladium catalyst surface.
Coverage (ML) and rate analyses in the course of decompositions of (a) 2-butenal, (b) butan-2,3-diol, and (c) butan-2,3-dione.
Case-7. CFD Simulations on Effect of Catalysts on Hydrodeoxygenation of Bio-Oil:
Schematic representation of reactor simulated for HDO of bio-oil
Expansion of Pt/Al2O3 catalyst bed at WHSV=3 hr-1, T=673 K and P=8720 kPa with increasing time.
Steady volume fractions of pine oil, H2 gas and Pt/Al2O3 catalyst at different temperatures and pressures.
Steady volume fractions of pine oil, H2 gas and Ni-Mo/Al2O3 catalyst at different temperatures and pressures.
Steady volume fractions of pine oil, H2 gas and Co-Mo/Al2O3 catalyst at different temperatures and pressures.