P
Praveenkumar Sappidi
Researcher at University of Alabama
Publications - 17
Citations - 125
Praveenkumar Sappidi is an academic researcher from University of Alabama. The author has contributed to research in topics: Ionic liquid & Aqueous solution. The author has an hindex of 6, co-authored 15 publications receiving 80 citations. Previous affiliations of Praveenkumar Sappidi include Indian Institute of Technology, Jodhpur & Indian Institutes of Technology.
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Journal ArticleDOI
Conformations and hydration structure of hydrophobic polyelectrolyte atactic poly(ethacrylic acid) in dilute aqueous solution as a function of neutralisation
TL;DR: In this paper, the intermolecular structure and dynamics of polyethacrylic acid (PEA) in salt-free aqueous dilute solution at 25°C were studied via molecular dynamics simulations with explicit-solvent and explicit-ion description.
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Polyelectrolyte conformational transition in aqueous solvent mixture influenced by hydrophobic interactions and hydrogen bonding effects: PAA-water-ethanol.
TL;DR: The underlying origins of polyelectrolyte chain collapse in water-alcohol mixtures are brought out for the first time via explicit MD simulations by this study.
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Molecular-level behavior of imidazolium-based ionic liquid mixtures
TL;DR: In this article, all-atom molecular dynamics simulations were performed to understand the intermolecular interactions and structuring of both neat and mixed ionic liquids (ILs) compositions containing 1-benzyl-3-methylimidazolium [ZMIM+], 1-butyl- 3-methylidazolate [Tf2N−], and tetrafluoroborate [BF4−] anions, and they observed very strong underlying molecular-level migrations in these mixtures.
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Adsorption of Gadolinium (Gd3+) Ions on the Dibenzo Crown Ether (DBCE) and Dicyclo Hexano Crown Ether (DCHCE) Grafted on the Polystyrene Surface: Insights from All Atom Molecular Dynamics Simulations and Experiments
TL;DR: In this article, two different types of crown ethers, viz., dibenzo crown ether and dicyclo hexano crown ether (DCHCE), were grafted separately on polystyrene (PS) surface to understand the adsorption behavior.
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Extraction of Gd3+ and UO22+ Ions Using Polystyrene Grafted Dibenzo Crown Ether (DB18C6) with Octanol and Nitrobenzene: A Molecular Dynamics Study.
TL;DR: The simulation results demonstrate that the binding of Gd3+ and UO22+ onto the oxygens of crown ethers is favorable for polystyrene grafted crown ether in the organic solvents OCT and NB, and corroborate the observed behavior by further analyzing the structural and dynamical properties of the ions in different phases.