| Molecular-level behavior of imidazolium-based ionic liquid mixtures P Sappidi, JE Bara, CH Turner Chemical Engineering Science 229, 116073, 2021 | 23 | 2021 |
| Polyelectrolyte conformational transition in aqueous solvent mixture influenced by hydrophobic interactions and hydrogen bonding effects: PAA–water–ethanol P Sappidi, U Natarajan Journal of Molecular Graphics and Modelling 64, 60-74, 2016 | 19 | 2016 |
| Adsorption of Gadolinium (Gd3+) Ions on the Dibenzo Crown Ether (DBCE) and Dicyclo Hexano Crown Ether (DCHCE) Grafted on the Polystyrene Surface … P Sappidi, A Boda, SM Ali, JK Singh The Journal of Physical Chemistry C 123 (19), 12276-12285, 2019 | 17 | 2019 |
| Conformations and hydration structure of hydrophobic polyelectrolyte atactic poly(ethacrylic acid) in dilute aqueous solution as a function of neutralisation P Sappidi, SS Muralidharan, U Natarajan Molecular Simulation 40 (4), 295-305, 2014 | 17 | 2014 |
| Extraction of Gd3+ and UO22+ Ions Using Polystyrene Grafted Dibenzo Crown Ether (DB18C6) with Octanol and Nitrobenzene: A Molecular Dynamics Study P Sappidi, S Namsani, SM Ali, JK Singh The Journal of Physical Chemistry B 122 (3), 1334-1344, 2018 | 13 | 2018 |
| Molecular simulation of high-salinity brines in contact with diisopropylamine and tripropylamine solvents P Sappidi, G Barbosa, BD Rabideau, ST Weinman, CH Turner Industrial & Engineering Chemistry Research 60 (21), 7917-7925, 2021 | 12 | 2021 |
| Molecular simulation of the separation of toluene and p-xylene with the thermally-robust ionic liquid triphenyl-p-phenyl sulfonyl phenyl phosphonium P Sappidi, BD Rabideau, CH Turner Chemical Engineering Science 224, 115790, 2020 | 11 | 2020 |
| Factors responsible for the aggregation behavior of hydrophobic polyelectrolyte PEA in aqueous solution studied by molecular dynamics simulations P Sappidi, U Natarajan Journal of Molecular Graphics and Modelling 75, 306-315, 2017 | 10 | 2017 |
| Selective Separation of CO2 from Flue Gas Using Carbon and Boron Nitride Nanotubes as a Membrane M Maurya, PK Sappidi, JK Singh Energy & Fuels 34 (6), 7223-7231, 2020 | 8 | 2020 |
| Effect of polystyrene length for the extraction of Gd3+ and UO22+ ions using dicyclohexano crown ether (DCH18C6) with octanol and nitrobenzene: A molecular dynamics study P Sappidi, SH Mir, JK Singh Journal of Molecular Liquids 271, 166-174, 2018 | 8 | 2018 |
| Influence of hydrogen bonding on the structural transition of poly (methacrylic acid) chain in water–ethanol solution by molecular dynamics simulations P Sappidi, U Natarajan Molecular Simulation 41 (18), 1476-1487, 2015 | 8 | 2015 |
| Molecular simulation of separation of gadolinium ions from aqueous waste using directional solvent extraction P Sappidi Journal of Molecular Liquids 341, 117330, 2021 | 7 | 2021 |
| Understanding the Molecular-Level Structure and Dynamics of Sodium Ions in Water in Ionic Liquid Electrolytes by Molecular Dynamics Simulations S Gupta, P Sappidi Journal of Chemical & Engineering Data 68 (1), 162-172, 2022 | 6 | 2022 |
| Effect of salt valency and concentration on structure and thermodynamic behavior of anionic polyelectrolyte Na+-polyethacrylate aqueous solution P Sappidi, U Natarajan Journal of molecular modeling 22, 1-16, 2016 | 6 | 2016 |
| How Do Ionic Liquids “Fold” Ionenes? Computational and Experimental Analysis of Imidazolium Polymers Based on Ether and Alkyl Chain Variations Dissolved in an Ionic Liquid P Sappidi, X Liu, KE O’Harra, JE Bara, CH Turner Macromolecules, 2021 | 5 | 2021 |
| Molecular simulations and experimental studies of the structural properties of imidazolium ionenes with butyl and decyl spacers solvated in 1-ethyl-3-methylimidazolium … P Sappidi, M Maurya, KE O'Harra, JE Bara, CH Turner Journal of Ionic Liquids 2 (1), 100013, 2022 | 3 | 2022 |
| Molecular simulations of understanding the Na+ ion structure, dynamic and thermodynamic behavior in ionic liquids: Butyl ammonium hydrogen bisulfate and tri-butyl ammonium … P Sappidi, PK Gupta Journal of Molecular Graphics and Modelling, 2023 | 2 | 2023 |
| Molecular Dynamics Study on the Adsorption of UO22+ from an Aqueous Phase: Effect of Grafting Dibenzo Crown Ether and Dicyclohexano Crown Ether on the Polystyrene Surface P Sappidi, JK Singh Journal of Chemical & Engineering Data 65 (3), 1051-1059, 2019 | 2 | 2019 |
| Molecular simulations of understanding the structure and separation thermodynamics of 5-Hydroxymethylfurfural from 1-Butyl-3-Methyl imidazolium tetrafluoroborate S Jha, P Sappidi Journal of Molecular Liquids 391, 123354, 2023 | 1 | 2023 |
| Structure and Conformational Properties of a Short Polyaniline Chain in a Mixture of Water and Ionic Liquid [1-Ethyl-3-methyl-imidazolium][bistriflimide] Investigated by All … CD Gandhi, P Sappidi The Journal of Physical Chemistry B 127 (37), 8019-8031, 2023 | 1 | 2023 |
