Surya Prakash Tiwari

National Energy Technology Laboratory — United States

Chemistry · Physical Sciences

8h-index208citations17works4.52yr avg
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Research Topics

Radioactive element chemistry and processing(5), Radioactive contamination and transfer(4), Nuclear Materials and Properties(4), Phase Equilibria and Thermodynamics(3), Carbon Dioxide Capture Technologies(3)

Publications17 total

Foaming prediction in pure liquids from dimensionless numbers inspired by the theory of fluid behavior for drops
AIChE Journal·2025Open Access
Creation of Polymer Datasets with Targeted Backbones for Screening of High-Performance Membranes for Gas Separation
Journal of Chemical Information and Modeling·2024· 9 citedOpen Access
Foaming Prediction in Pure Liquids from Dimensionless Numbers Inspired by the Theory of Fluid Behavior for Drops
2023· 2 citedOpen Access
Creation of Polymer Datasets for Screening of Gas Permeability and Selectivity
OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information)·2023Open Access
Computational Screening & Design of Alkylamine-Functionalized Polymer Sorbents
OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information)·2023Open Access
Creation of Polymer Datasets with Targeted Backbones for Screening of Gas Permeability and Selectivity
2023· 1 citedOpen Access
Thermodynamics and Speciation of Actinide Materials in the Condensed Phase using Atomistic Simulations
Figshare·2022Open Access
Computational Design of Alkylamine-Functionalized Polymer Sorbents
OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information)·2022Open Access
Computational Screening of Physical Solvents for CO<sub>2</sub> Pre-combustion Capture
The Journal of Physical Chemistry B·2021· 14 citedOpen Access
The role of cations in uranyl nanocluster association: a molecular dynamics study
Physical Chemistry Chemical Physics·2019Open Access
CO2 Solubility in Organophosphate Physical Solvents Wherein Alkyl Groups Are Replaced with Poly(Ethylene Glycol) Groups
2019· 1 citedOpen Access
Foaming Dependence on the Interface Affinities of Surfactant-like Molecules
Industrial & Engineering Chemistry Research·2019· 15 citedOpen Access
Effect of Molecular Structure on the CO<sub>2</sub> Separation Properties of Hydrophobic Solvents Consisting of Grafted Poly Ethylene Glycol and Poly Dimethylsiloxane Units
Energy & Fuels·2019· 13 citedOpen Access
A molecular dynamics investigation of actinyl–ligand speciation in aqueous solution
Physical Chemistry Chemical Physics·2018· 19 citedOpen Access
Dynamics of actinyl ions in water: a molecular dynamics simulation study
Physical Chemistry Chemical Physics·2014· 37 cited
Development and application of effective pairwise potentials for UO2n+, NpO2n+, PuO2n+, and AmO2n+ (n = 1, 2) ions with water
Physical Chemistry Chemical Physics·2013· 51 cited
Force Field Development for Actinyl Ions via Quantum Mechanical Calculations: An Approach to Account for Many Body Solvation Effects
The Journal of Physical Chemistry B·2012· 46 cited

Frequent Co-authors

Janice A. Steckel(6), David Hopkinson(6), Edward J. Maginn(5), Nicholas Siefert(5), Wei Shi(5), Robert L. Thompson(5), Neeraj Rai(4), Wei Shi(3), Ken Newcomb(2), Jeffrey T. Culp(2), Kevin Resnik(2), Samir Budhathoki(2), James S. Baker(2), David Hopkinson(2), Vladimir A. Pomogaev(1), George S. Goff(1), Wolfgang Runde(1), William F. Schneider(1), Moushumi Sarma(1), Jonathan Bryant(1)