Mr. Bibek Dash, Scientist-E 9632166242, bibek@immt.res.in , https://bibek-dash.super.site/
DESCRIPTION :
Bibek Dash is a Senior Scientist in the Process engineering & Instrumentation Department, CSIR IMMT. He obtained Bachelor of Technology (B.Tech) degree in Chemical Engineering (2010) from NIT Rourkela and Masters of Technology (M.Tech) degree in Chemical Engineering (2013) from IIT Delhi. He is pursuing his Doctor of Philosophy (PhD) degree in Department of Chemical Engineering at IIT Bombay. He is recipient of Young Researchers award in 2013 for best master's project work at IIT Delhi. His research focuses are to use first principle modeling such as Density Functional Theory (DFT) and Molecular Dynamics (MD) to understand and design advanced materials for sustainable energy, environmental applications and mineral processing technologies.
He has worked on projects funded by CSIR/SERB/Ministry of Steel/NMDC/Industry/etc. The current research activities include the design of novel high-performance adsorbent materials for toxic pollutants removal, organic porous materials for gas capture and storage, transition metal catalysts for carbon dioxide conversion to fuels and chemicals, development of efficient codes for calculating thermodynamic parameters relevant to experimental researchers, high capacity battery materials design and optimization using DFT and AI-based design, electrochemical carbon dioxide reduction to fuels and chemicals using novel metal-organic complexes, 2D materials hybrid structures and metal surfaces and flotation reagent design for efficient mineral flotation process.
EXPERIENCE :- Senior Scientist, CSIR IMMT, December 2019 to present
- Scientist, CSIR IMMT, December 2015 to November 2019.
- Research Fellow, Materials Engg Dept, IISc Bangalore, 2014-2015.
- Process Engineer, Hindalco Industries Ltd., 2010-2011
AREA OF INTEREST :- Novel high-performance adsorbent materials using low-cost/grade mineral ores for toxic heavy metals pollutants removal
- Computational design of organic porous nanomaterials for CO2 storage and capture and pollution reduction
- Design of transition metal based catalysts for catalytic process (electrochemical/photocatalytic)
- DFT and MD based advanced materials design for battery applications
- Novel flotation reagents design for low grade mineral ores/slimes/tailings using modeling
- Chemical Additives development for slurry transport and dewatering of iron ores and coal
AWARDS & HONOURS :- Recipient of the Young Researcher Award 2013 for best master's project work at IIT Delhi
- Best Poster award in competition at CHEMCON International Conference, 2021
- Joint Secretary and Executive Council Member (2015-2021), IIChE Bhubaneswar Regional Center
Journals
Kumar, N., Mishra, R. P., Dash, B., Bastia, S., & Chaudhary, Y. S. (2023). The synergistic chemical coupling of nanostructured MoS2 with nitrogen-deficient 2-D triazine-based polymeric M-c3nx for efficient and selective CO2 photocatalytic conversion to CO. Journal of Materials Chemistry A. (IF:11.9),11 (38), 20839-20853. https://doi.org/10.1039/d3ta03267a
Sohale, A. P., Janardanan, Bibek Dash, S., Yadav, D.., & Yadav, M. D. (2023). Dark fermentative Biohydrogen production: Recent advances and challenges. Industrial & Engineering Chemistry Research (IF:4.2),62(37), 14755-14771. https://doi.org/10.1021/acs.iecr.3c01439
Bibek Dash, Sandeep K. Jena, Swagat S. Rath, Adsorption of Cr (III) and Cr (VI) ions on muscovite mica: Experimental and molecular modeling studies, Journal of Molecular Liquids (IF:6.0), 357, 2022, 119116, https://doi.org/10.1016/j.molliq.2022.119116.
Bibek Dash, Swagat S. Rath, Density Functional Theory and Molecular Dynamics insights into the site-dependent adsorption of hydrogen fluoride on kaolinite, Journal of Molecular Liquids (IF:6.0), 299, 2020, 112265, https://doi.org/10.1016/j.molliq.2019.112265
Bibek Dash, Barsha Dash, Swagat S. Rath, A thorough understanding of the adsorption of Ni (II), Cd (II) and Zn (II) on goethite using experiments and molecular dynamics simulation, Separation and Purification Technology (IF:8.6), 240, 2020, 116649, https://doi.org/10.1016/j.seppur.2020.116649.
Bibek Dash, Carbon dioxide capture by nitrogen-containing organic materials – A density functional theory investigation, Computational and Theoretical Chemistry (IF:2.8) , 1128, 2018, 1-14, 2210-271X, https://doi.org/10.1016/j.comptc.2018.02.005.
Bibek Dash, Carbon dioxide capture using covalent organic frameworks (COFs) type material—a theoretical investigation. Journal of Molecular Modeling (IF:2.2) 24, 120 (2018). https://doi.org/10.1007/s00894-018-3646-3
Bibek Dash & Abhishek Kumar (2017) Nanofiltration for textile dye–water treatment: Experimental and parameter estimation studies using a spiral wound module and validation of the Spiegler–Kedem-based model, Separation Science and Technology (IF:2.8), 52:7, 1216-1224, DOI: 10.1080/01496395.2017.1282965
Book Chapter
1. Shailesh K. Singh, Gourav Shrivastav, Tuhin S. Khan, Bibek Dash, Vivek K. Singh, Application of Molecular Dynamics and Calorimetry for Study and Characterization of Polymers, Editor(s): M.S.J. Hashmi, Encyclopedia of Materials: Plastics and Polymers, Elsevier, 2022, 555-564, ISBN 9780128232910, https://doi.org/10.1016/B978-0-12-820352-1.00278-9.
2. Bibek Dash, Barsha Dash, Manishkumar D Yadav, Bio-derived carbon nanostructures for environmental applications, Bio-derived Carbon Nanostructures: Fundamentals, Synthesis and Applications, Elsevier, 1st Edition 2024, ISBN: 9780443135798
3. Nishtha Arora, Sachin Dua, S V Purohit, Bibek Dash, Manishkumar D. Yadav, Bikash Kumar Jena, T.Senthilkumar, Polymer Composites: Synthesis, Application, and Basic Theoretical Aspects, Polymer Composites: From Computational to Experimental Aspects, Springer Nature 2024, ISBN: 978-981-97-08871
Conferences
Bibek Dash, Dinesh Attarde, Investigation of suitable mass transport model of flat sheet membrane for osmotic power generation, 65th annual session of IIChE, CHEMCON, 2012, Jalandhar, India
Bibek Dash, Removal of halide from water by spiral wound nanofiltration module, 65th annual session of IIChE, CHEMCON, 2012, Jalandhar, India
Bibek Dash, Molecular Modeling studies of adsorption of toxic elements on low cost minerals, 3D-Experience Design Conference Dassault Systemes, Bangalore, 2019
Bibek Dash, Dash, B., Rath, S. S., Das, J., Investigations of adsorption mechanisms of Ni, Cd and Zn on goethite mineral through Density functional theory and molecular dynamics simulations, Mineral Processing Technology MPT 2019, Hyderabad, India
Ravi Gupta, Bibek Dash, Manish Kumar Yadav, Role of reducing agent concentration in tuning the number of layers of graphene oxide using improved Hummer’s method, CHEMCON 2021, Bhubaneswar, India
Ajay Verma, Amoghraj, Bibek Dash, Manish Kumar Yadav, Evaluation of Thermodynamic Models for the Prediction of Solubility of Antibiotics In Various Solvents, CHEMCON 2021, Bhubaneswar, India
Sudhanshu Ranjan, Anupam Biswas, Rahul Bhoi, Shradhanjali Sahoo, Bibek Dash, Curcumin, Eugenol and Nimbolide as potential ayurvedic anticancer drugs-A combined molecular docking and DFT analysis, Frontiers in Materials for Technological Applications FIMTA 2022, Bhubaneswar, India
Hazare, S D Mohapatra, Bibek Dash, S S Rath, R K Dwari, Biomass residue and its synthesized derivatives as collector for the flotation of calcite-quartz system, FIMTA 2022, Bhubaneswar, India
Deepak Adhikari, Pradyut Sengupta, Bibek Dash, Mayadhar Debata, Ajit Panigrahi, Surojit Gupta, Engineered role of Cr and Cr2AlC on structure-property evolution of Cu alloys, FIMTA 2022, Bhubaneswar, India
PROJECTS WORKED ON :Current Projects- "Machine Learning based electrode material design for energy storage applications", CSIR AI Mission Mode Project
- "Fluorescent anti-corrosion coatings for early detection of failure via modeling and simulation", Principal Investigator, SERB sponsored project
- "Studies on feasibility of coal-water slurry preparation, transportation & dewatering of pulverized coal", Co-Principal Investigator, CSIR 4M mission project
- "Development of Green Surfactants for Mineral Flotation and Flocculation: Molecular Level Design, Characterization, and Synthesis (GSMF)" , CSIR 4M Theme Major Lab Project
- "Processes for high pure silica from the sad of waste overburden of lignite mines and value addition to magnesite-based low-grade mines resources", CSIR 4M FTT project
- "Simultaneous removal of CO2, SO2, and NOx from flue gas and their catalytic conversion into fuels and fertilizers", Ministry of Steel project
- "Study the physical and mineralogical effect on the recovery of iron values from beneficiation plant residual fines/slimes/tailings and grade iron ore-an approach towards iron ore sustainability", Ministry of Steel Project
Completed Projects- "Multiscale modelling and computational design of high-performance materials for remediation of polluted water" Principal investigator, CSIR 4M Major lab Project
- "Molecular modelling studies on low-cost mineral-based adsorbents: Implication to fluoride and uranyl ion" Principal investigator, CSIR In-House
- "Modeling & Optimization of High Concentration iron Ore fines/concentrate Slurry Pipelines for Indian Iron Ore Processing Industries", Ministry of Steel & NMDC
- "Challenges in recycling and material development from spent FCC catalyst", CSIR
- "In-house development and fabrication of stirred mills for energy-efficient processing of low-grade ores", CSIR
- "Modelling and optimization of screen performance for higher productivity at minimal misplacements", Tata Steel
- "Multifunctional electrodes and electrolytes in future technologies", CSIR
- "Synthesis of Smart Metal-Organic Porous Hybrid Materials as Renewable energy carrier modules", CSIR
