Molecular simulation insights into glycerol extraction from biodiesel using deep eutectic solvents Neha, A Bharti, P Padmanabhan Journal of Molecular Modeling 32, 162 , 2026 2026
Rational design of hydrophobic eutectic solvents for selective 1,3-propanediol extraction: Insights from COSMO-RS and molecular simulations R Akshat, S Hait, U Mahanta, A Bharti, P Padmanabhan Chemical Engineering Science 331, 123909 , 2026 2026
Mass transfer driven electro-oxidation of polyethylene terephthalate microplastics using a rotating parallel electrode system PG Gangadharan, A Bharti, A Deb, A Mondal Polymer Degradation and Stability 247, 111990 , 2026 2026
An integrated experimental and computational investigation into CO2 capture using Thymol derived deep eutectic solvents S Hait, R Akshat, A Bharti, U Mahanta Journal of Environmental Chemical Engineering, 120520 , 2025 2025 Citations: 1
Enhancing the degradation of polystyrene and polyethylene terephthalate microplastics in water using electrochemical treatment at neutral pH. GP Gokul, A Bharti, S Sengupta, A Mondal 2025
Enhancing the degradation of polystyrene and polyethylene terephthalate microplastics in water using electrochemical treatment at neutral pH G Gangadharan P, A Bharti, S Sengupta, A Mondal Journal of Environmental Management 394, 127401 , 2025 2025 Citations: 5
Molecular dynamics insights into the selective extraction of 1,3-propanediol from fermentation broth using eutectic solvent R Akshat, K Kumari, A Bharti, P Padmanabhan Journal of Molecular Liquids 437 (Part B), 128460 , 2025 2025
A Review on Solubility Studies of Industrially Important Compounds in Supercritical CO2 A Sinha, A Bharti, P Munshi Chemistry Select 10 (38) , 2025 2025 Citations: 2
In-silico investigation of acetic acid extraction from aqueous solution using hydrophobic ionic liquids: A molecular dynamics simulation and COSMO-SAC approach K Kumari, R Akshat, A Bharti, P Padmanabhan Molecular Simulation 51 (13), 878–897 , 2025 2025
Molecular Dynamics Simulation study on the selective extraction of 1,3 propanediol from fermentation broth using imidazolium-based hydrophobic ionic liquids R Akshat, A Bharti, P Padmanabhan Fluid Phase Equilibria 599, 114530 , 2025 2025 Citations: 2
Chemical Upcycling of Waste Polyethylene Terephthalate via Cosolvent-Assisted Alkaline Hydrolysis G Kumar, A Bharti Journal of the Mexican Chemical Society 69 (3), 555-570 , 2025 2025
Exploring the degradation of polyethylene terephthalate microplastics from water and synthetic marine water by the electrochemical method PG Gangadharan, A Bharti, A Mondal Journal of Water Process Engineering 76, 108101 , 2025 2025 Citations: 13
1, 3-Propanediol extraction from aqueous phase using hydrophobic eutectic solvents: Insights from experiments and molecular dynamics simulations R Akshat, A Bharti, P Padmanabhan Journal of Molecular Liquids 423, 127026 , 2025 2025 Citations: 6
Electrochemical degradation strategies for polystyrene microplastic: Current trends and future prospects G Gangadharan P, A Bharti, A Mondal Polymer Degradation and Stability 238, 111351 , 2025 2025 Citations: 22
Atomistic molecular dynamics simulation and COSMO-SAC approach for enhanced 1, 3-propanediol extraction with imidazolium-based ionic liquids R Akshat, A Bharti, P Padmanabhan Journal of Molecular Modeling 30 (6), 164 , 2024 2024 Citations: 9
Energy and Environmental Metrics-Based Comparison of Ionic Liquids/Deep Eutectic Solvents-Assisted Chemical Recycling of Waste Poly (ethylene terephthalate) G Kumar, K Kumar, A Bharti Industrial & Engineering Chemistry Research 63 (14), 6024–6046 , 2024 2024 Citations: 18
Quantum Chemistry-Based Approach for Density Prediction of non-ionic Hydrophobic Eutectic Solvents G Kumar, K Kumar, A Bharti Journal of Solution Chemistry , 2024 2024 Citations: 4
Choline based deep eutectic solvent for denitrogenation of liquid fuel: A molecular dynamics study K Kumar, A Bharti, A Kumar, SK Ghosh, A Kumar Journal of Molecular Liquids 382, 121862 , 2023 2023 Citations: 9
Solubility of Gases in Choline Chloride-Based Deep Eutectic Solvents from Molecular Dynamics Simulation K Kumar, S Keshri, A Bharti, S Kumar, S Mogurampelly Industrial & Engineering Chemistry Research 61 (13), 4659–4671 , 2022 2022 Citations: 21
Liquid-liquid equilibria and alcohol valorization in aqueous alcoholic systems using hydrophobic eutectic solvents (Book Chapter) R Verma, A Bharti, PK Naik, T Banerjee Current Developments in Biotechnology and Bioengineering, 205-222 , 2022 2022
MOST CITED SCHOLAR PUBLICATIONS
Reactive force field simulation studies on the combustion behavior of n-octanol A Bharti, T Banerjee Fuel Processing Technology 152, 132-139 , 2016 2016 Citations: 58
Enhancement of bio-oil derived chemicals in aqueous phase using ionic liquids: Experimental and COSMO-SAC predictions using a modified hydrogen bonding expression TB Anand Bharti Fluid Phase Equilibria 400, 27-37 , 2015 2015 Citations: 39
Phase equilibria in ionic liquid facilitated liquid-liquid extractions (Book) A Bharti, D Kundu, D Rabari, T Banerjee CRC Press , 2017 2017 Citations: 34
Liquid-liquid extraction, COSMO-SAC predictions and process flow sheeting of 1-butanol enhancement using mesitylene and oleyl alcohol R Verma, P Dehury, A Bharti, T Banerjee Journal of Molecular Liquids 265, 824-839 , 2018 2018 Citations: 31
Electrochemical degradation strategies for polystyrene microplastic: Current trends and future prospects G Gangadharan P, A Bharti, A Mondal Polymer Degradation and Stability 238, 111351 , 2025 2025 Citations: 22
Solubility of Gases in Choline Chloride-Based Deep Eutectic Solvents from Molecular Dynamics Simulation K Kumar, S Keshri, A Bharti, S Kumar, S Mogurampelly Industrial & Engineering Chemistry Research 61 (13), 4659–4671 , 2022 2022 Citations: 21
Liquid-liquid equilibria and COSMO-SAC modeling of organic solvent/ionic liquid-hydroxyacetone-water mixtures A Bharti, R Verma, S Namdeo, A Malviya, T Banerjee, SI Sandler Fluid Phase Equilibria 462, 73-84 , 2018 2018 Citations: 21
Energy and Environmental Metrics-Based Comparison of Ionic Liquids/Deep Eutectic Solvents-Assisted Chemical Recycling of Waste Poly (ethylene terephthalate) G Kumar, K Kumar, A Bharti Industrial & Engineering Chemistry Research 63 (14), 6024–6046 , 2024 2024 Citations: 18
Exploring the degradation of polyethylene terephthalate microplastics from water and synthetic marine water by the electrochemical method PG Gangadharan, A Bharti, A Mondal Journal of Water Process Engineering 76, 108101 , 2025 2025 Citations: 13
Insights on choline chloride–based deep eutectic solvent (reline) + primary alcohol mixtures: a molecular dynamics simulation study K Kishant, A Bharti, S Mogurampelly Journal of Molecular Modeling 28 (30), doi.org/10.1007/s00894-021-05017-3 , 2022 2022 Citations: 11
Applicability of Cuckoo Search Algorithm for the Prediction of Multicomponent Liquid–Liquid Equilibria for Imidazolium and Phosphonium Based Ionic Liquids A Bharti, Prerna, T Banerjee Industrial & Engineering Chemistry Research 54 (49), 12393-12407 , 2015 2015 Citations: 11
Atomistic molecular dynamics simulation and COSMO-SAC approach for enhanced 1, 3-propanediol extraction with imidazolium-based ionic liquids R Akshat, A Bharti, P Padmanabhan Journal of Molecular Modeling 30 (6), 164 , 2024 2024 Citations: 9
Choline based deep eutectic solvent for denitrogenation of liquid fuel: A molecular dynamics study K Kumar, A Bharti, A Kumar, SK Ghosh, A Kumar Journal of Molecular Liquids 382, 121862 , 2023 2023 Citations: 9
Molecular insight into the structure and dynamics of LiTf 2 N/deep eutectic solvent: an electrolyte for Li-ion batteries K Kumar, A Bharti, R Kumar Molecular Simulation 47 (18), 1477-1492 , 2021 2021 Citations: 8
1, 3-Propanediol extraction from aqueous phase using hydrophobic eutectic solvents: Insights from experiments and molecular dynamics simulations R Akshat, A Bharti, P Padmanabhan Journal of Molecular Liquids 423, 127026 , 2025 2025 Citations: 6
Enhancing the degradation of polystyrene and polyethylene terephthalate microplastics in water using electrochemical treatment at neutral pH G Gangadharan P, A Bharti, S Sengupta, A Mondal Journal of Environmental Management 394, 127401 , 2025 2025 Citations: 5
Solubility prediction of bio-oil derived chemicals in aqueous media by Localized Molecular Orbital-Energy Decomposition Analysis (LMO-EDA) and COSMO-RS predictions A Bharti, T Banerjee Computational and Theoretical Chemistry 1067, 48-59 , 2015 2015 Citations: 5
Quantum Chemistry-Based Approach for Density Prediction of non-ionic Hydrophobic Eutectic Solvents G Kumar, K Kumar, A Bharti Journal of Solution Chemistry , 2024 2024 Citations: 4
A Review on Solubility Studies of Industrially Important Compounds in Supercritical CO2 A Sinha, A Bharti, P Munshi Chemistry Select 10 (38) , 2025 2025 Citations: 2
Molecular Dynamics Simulation study on the selective extraction of 1,3 propanediol from fermentation broth using imidazolium-based hydrophobic ionic liquids R Akshat, A Bharti, P Padmanabhan Fluid Phase Equilibria 599, 114530 , 2025 2025 Citations: 2