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Sudeep N. Punnathanam, Ph.D. - Publications

Affiliations: 
2003 Purdue University, West Lafayette, IN, United States 
Area:
Chemical Engineering
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30 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2021 Addula RKR, Punnathanam SN. Molecular Theory of Nucleation from Dilute Phases: Formulation and Application to Lennard-Jones Vapor. Physical Review Letters. 126: 146001. PMID 33891434 DOI: 10.1103/PhysRevLett.126.146001  0.31
2020 Addula RKR, Punnathanam SN. Computation of solid-fluid interfacial free energy in molecular systems using thermodynamic integration. The Journal of Chemical Physics. 153: 154504. PMID 33092349 DOI: 10.1063/5.0028653  0.304
2020 Veesam SK, Punnathanam SN. Computation of the Dissociation Temperature of TBAB Semi-Clathrate in an Aqueous Solution Using Molecular Simulations. The Journal of Physical Chemistry. B. PMID 32924482 DOI: 10.1021/Acs.Jpcb.0C05238  0.391
2019 Veesam SK, Punnathanam SN. vdWP-FL: An Improved Thermodynamic Theory for Gas Hydrates with Free-Energy Contributions due to Hydrate Lattice Flexibility Journal of Physical Chemistry C. 123: 26406-26414. DOI: 10.1021/Acs.Jpcc.9B07608  0.424
2019 Veesam SK, Ravipati S, Punnathanam SN. Recent advances in thermodynamics and nucleation of gas hydrates using molecular modeling Current Opinion in Chemical Engineering. 23: 14-20. DOI: 10.1016/J.Coche.2019.01.003  0.328
2018 A RKR, Punnathanam SN. Calculation of excess free energy of molecular solids comprised of flexible molecules using Einstein molecule method Molecular Simulation. 44: 781-788. DOI: 10.1080/08927022.2018.1450984  0.374
2017 Bommineni PK, Punnathanam SN. Molecular simulation of homogeneous crystal nucleation of AB2 solid phase from a binary hard sphere mixture. The Journal of Chemical Physics. 147: 064504. PMID 28810784 DOI: 10.1063/1.4997432  0.414
2016 Kumaraswamy G, Manoharan VN, Singh J, Bachhar N, Kulkarni S, Bandyopadhyay R, Punnathanam S, Srivastav A, Roy Chowdhury P, Frenkel D, Kumar GV, Sridurai V, Dhabal D, Eiser E, Tripathy M, et al. Modeling and Theory: general discussion. Faraday Discussions. PMID 27044445 DOI: 10.1039/C6Fd90002J  0.301
2015 Ravipati S, Punnathanam SN. Improving the Rigor and Consistency of the Thermodynamic Theory for Clathrate Hydrates through Incorporation of Movement of Water Molecules of Hydrate Lattice Journal of Physical Chemistry C. 119: 12365-12377. DOI: 10.1021/Acs.Jpcc.5B01662  0.389
2014 Ravipati S, Punnathanam SN. Calculation of three-phase methane-ethane binary clathrate hydrate phase equilibrium from Monte Carlo molecular simulations Fluid Phase Equilibria. 376: 193-201. DOI: 10.1016/J.Fluid.2014.06.001  0.416
2014 Dasgupta T, Punnathanam SN, Ayappa KG. Effect of functional groups on separating carbon dioxide from CO2/N2 gas mixtures using edge functionalized graphene nanoribbons Chemical Engineering Science. DOI: 10.1016/J.Ces.2014.07.057  0.386
2014 Ganesh HS, Punnathanam SN. Effect of adsorbate loading on selectivity during adsorption of C 14/C15and C15/C16 n-alkane binary mixtures in silicalite Adsorption. 20: 729-736. DOI: 10.1007/S10450-014-9616-X  0.394
2013 Punnathanam SN. Note: Effect of fluid phase compositions on the formation of substitutionally ordered solid phases from a binary mixture of oppositely charged colloidal suspensions. The Journal of Chemical Physics. 139: 086101. PMID 24007040 DOI: 10.1063/1.4819952  0.368
2013 Pavaskar G, Punnathanam SN. Determination of favorable inter-particle interactions for formation of substitutionally ordered solid phases from a binary mixture of oppositely charged colloidal suspensions. The Journal of Chemical Physics. 138: 174504. PMID 23656141 DOI: 10.1063/1.4802784  0.348
2013 Ganagalla SR, Punnathanam SN. Free energy barriers for homogeneous crystal nucleation in a eutectic system of binary hard spheres. The Journal of Chemical Physics. 138: 174503. PMID 23656140 DOI: 10.1063/1.4802777  0.401
2013 Ravipati S, Punnathanam SN. Calculation of chemical potentials and occupancies in clathrate hydrates through monte carlo molecular simulations Journal of Physical Chemistry C. 117: 18549-18555. DOI: 10.1021/Jp405771U  0.406
2012 Wood BC, Bhide SY, Dutta D, Kandagal VS, Pathak AD, Punnathanam SN, Ayappa KG, Narasimhan S. Methane and carbon dioxide adsorption on edge-functionalized graphene: a comparative DFT study. The Journal of Chemical Physics. 137: 054702. PMID 22894366 DOI: 10.1063/1.4736568  0.36
2012 Kandagal VS, Pathak A, Ayappa KG, Punnathanam SN. Adsorption on edge-functionalized bilayer graphene nanoribbons: Assessing the role of functional groups in methane uptake Journal of Physical Chemistry C. 116: 23394-23403. DOI: 10.1021/Jp307039M  0.333
2012 Ravipati S, Punnathanam SN. Analysis of parameter values in the Van der Waals and Platteeuw theory for methane hydrates using Monte Carlo molecular simulations Industrial and Engineering Chemistry Research. 51: 9419-9426. DOI: 10.1021/Ie3004368  0.419
2011 Pimpalgaonkar H, Veesam SK, Punnathanam SN. Theory of gas hydrates: effect of the approximation of rigid water lattice. The Journal of Physical Chemistry. B. 115: 10018-26. PMID 21728316 DOI: 10.1021/Jp204129T  0.386
2011 Punnathanam S, Denayer JFM, Daems I, Baron GV, Snurr RQ. Parallel tempering simulations of liquid-phase adsorption of n-alkane mixtures in zeolite LTA-5A Journal of Physical Chemistry C. 115: 762-769. DOI: 10.1021/Jp110627G  0.561
2008 Bae YS, Mulfort KL, Frost H, Ryan P, Punnathanam S, Broadbelt LJ, Hupp JT, Snurr RQ. Separation of CO2 from CH4 using mixed-ligand metal-organic frameworks. Langmuir : the Acs Journal of Surfaces and Colloids. 24: 8592-8. PMID 18616225 DOI: 10.1021/La800555X  0.643
2007 Punnathanam S, Monson PA. Crystal nucleation in binary hard sphere mixtures: a Monte Carlo simulation study. The Journal of Chemical Physics. 125: 24508. PMID 16848593 DOI: 10.1063/1.2208998  0.422
2007 Daems I, Baron GV, Punnathanam S, Snurr RQ, Denayer JFM. Molecular cage nestling in the liquid-phase adsorption of n-Alkanes in 5A zeolite Journal of Physical Chemistry C. 111: 2191-2197. DOI: 10.1021/Jp0668145  0.553
2004 Punnathanam S, Corti DS. Critical cavities and the kinetic spinodal for superheated liquids. The Journal of Chemical Physics. 120: 11658-61. PMID 15268200 DOI: 10.1063/1.1755193  0.629
2004 Punnathanam S, Corti DS. Work of cavity formation inside a fluid using free-energy perturbation theory. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 69: 036105. PMID 15089359 DOI: 10.1103/Physreve.69.036105  0.636
2003 Punnathanam S, Corti DS. Cavity formation in the superheated Lennard-Jones liquid and its connection to homogeneous bubble nucleation: A density-functional theory study Journal of Chemical Physics. 119: 10224-10236. DOI: 10.1063/1.1617275  0.613
2002 Punnathanam S, Corti DS. Verification of the nucleation theorem for the internally constrained one-dimensional hard rod fluid Journal of Chemical Physics. 117: 6169-6175. DOI: 10.1063/1.1503334  0.58
2002 Punnathanam S, Corti DS. Homogeneous Bubble Nucleation in Stretched Fluids: Cavity Formation in the Superheated Lennard-Jones Liquid Industrial & Engineering Chemistry Research. 41: 1113-1121. DOI: 10.1021/Ie010554Q  0.461
2002 Punnathanam S, Corti DS. Homogeneous bubble nucleation in stretched fluids: Cavity formation in the superheated Lennard-Jones liquid Industrial and Engineering Chemistry Research. 41: 1113-1121.  0.624
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