On the equilibrium contact angle of sessile liquid drops from molecular dynamics simulations S Ravipati, B Aymard, S Kalliadasis, A Galindo The Journal of chemical physics 148 (16), 164704, 2018 | 39 | 2018 |
Analysis of parameter values in the van der Waals and Platteeuw theory for methane hydrates using Monte Carlo molecular simulations S Ravipati, SN Punnathanam Industrial & engineering chemistry research 51 (27), 9419-9426, 2012 | 25 | 2012 |
Calculation of three-phase methane–ethane binary clathrate hydrate phase equilibrium from Monte Carlo molecular simulations S Ravipati, SN Punnathanam Fluid Phase Equilibria 376, 193-201, 2014 | 21 | 2014 |
Improving the rigor and consistency of the thermodynamic theory for clathrate hydrates through incorporation of movement of water molecules of hydrate lattice S Ravipati, SN Punnathanam The Journal of Physical Chemistry C 119 (22), 12365-12377, 2015 | 15 | 2015 |
Calculation of chemical potentials and occupancies in clathrate hydrates through Monte Carlo molecular simulations S Ravipati, SN Punnathanam The Journal of Physical Chemistry C 117 (36), 18549-18555, 2013 | 13 | 2013 |
A caching scheme to accelerate kinetic Monte Carlo simulations of catalytic reactions S Ravipati, M d’Avezac, J Nielsen, J Hetherington, M Stamatakis The Journal of Physical Chemistry A 124 (35), 7140-7154, 2020 | 12 | 2020 |
Modelling adsorption using an augmented two-dimensional statistical associating fluid theory: 2D-SAFT-VR Mie G Campos-Villalobos, S Ravipati, AJ Haslam, G Jackson, J Suaste, ... Molecular Physics 117 (23-24), 3770-3782, 2019 | 12 | 2019 |
Monte Carlo Molecular Simulation Study of Carbon Dioxide Sequestration into Dry and Wet Calcite Pores Containing Methane S Ravipati, MS Santos, IG Economou, A Galindo, G Jackson, AJ Haslam Energy & Fuels 35 (14), 11393-11402, 2021 | 11 | 2021 |
The Contribution of the Ion–Ion and Ion–Solvent Interactions in a Molecular Thermodynamic Treatment of Electrolyte Solutions S Kournopoulos, MS Santos, S Ravipati, AJ Haslam, G Jackson, ... The Journal of Physical Chemistry B 126 (47), 9821-9839, 2022 | 10 | 2022 |
Coupling the time-warp algorithm with the graph-theoretical kinetic Monte Carlo framework for distributed simulations of heterogeneous catalysts S Ravipati, GD Savva, IA Christidi, R Guichard, J Nielsen, R Réocreux, ... Computer Physics Communications 270, 108148, 2022 | 10 | 2022 |
Recent advances in thermodynamics and nucleation of gas hydrates using molecular modeling SK Veesam, S Ravipati, SN Punnathanam Current Opinion in Chemical Engineering 23, 14-20, 2019 | 9 | 2019 |
An investigation of free-energy-averaged (coarse-grained) potentials for fluid adsorption on heterogeneous solid surfaces S Ravipati, A Galindo, G Jackson, AJ Haslam Physical Chemistry Chemical Physics 21 (46), 25558-25568, 2019 | 9 | 2019 |
Correction to “analysis of parameter values in the van der waals and platteeuw theory for methane hydrates using Monte Carlo molecular simulations” S Ravipati, SN Punnathanam Industrial & Engineering Chemistry Research 51 (48), 15796-15798, 2012 | 5 | 2012 |