Raviteja Kurapati

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Publications (7)

• Complex role of chemical nature and tacticity in the adsorption free energy of carboxylic acid polymers at the oil–water interface: molecular dynamics simulations
  Physical Chemistry Chemical Physics 2023 DOI: 10.1039/d3cp02754f
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• Effect of stereo-chemistry and hydrophilic nature of synthetic carboxylic acid polymers on conformation, intermolecular structure and hydration at air-water interface
  Computational Materials Science 2023 DOI: 10.1016/j.commatsci.2023.112447
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• Role of concentration and hydrophobic nature of weak polyelectrolytes on adsorption structure and thermodynamics at oil-water interface: Study of several carboxylate polymers
  Polymer 2023 DOI: 10.1016/j.polymer.2023.126315
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• Role of Chemical Linkage in Solvation of Polyurethanes in Organic Solvents Studied by Explicit Molecular Dynamics Simulations
  Industrial & Engineering Chemistry Research 2022 DOI: 10.1021/acs.iecr.2c02421
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• Tacticity and Ionization Effects on Adsorption Behavior of Poly(acrylic acid) and Poly(methacrylic acid) at the CCl4–H2O Interface Revealed by MD Simulations
  Industrial & Engineering Chemistry Research 2022 DOI: 10.1021/acs.iecr.2c02416
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• New insights into adsorption structure and hydration of polymer at oil-water interface obtained by molecular dynamics simulations: Isotactic poly(methacrylic acid)
  Polymer 2022 DOI: 10.1016/j.polymer.2022.125378
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• Factors Responsible for the Aggregation of Poly(vinyl alcohol) in Aqueous Solution as Revealed by Molecular Dynamics Simulations
  Industrial & Engineering Chemistry Research 2020 DOI: 10.1021/acs.iecr.0c02467
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