Browse by IISc Authors

Journal Article

Veesam, Shivanand Kumar and Punnathanam, Sudeep N (2019) vdWP-FL: An Improved Thermodynamic Theory for Gas Hydrates with Free-Energy Contributions due to Hydrate Lattice Flexibility. In: JOURNAL OF PHYSICAL CHEMISTRY C, 123 (43). pp. 26406-26414.

Veesam, Shivanand Kumar and Ravipati, Srikanth and Punnathanam, Sudeep N (2019) Recent advances in thermodynamics and nucleation of gas hydrates using molecular modeling. In: CURRENT OPINION IN CHEMICAL ENGINEERING, 23 (SI). pp. 14-20.

Bommineni, Praveen Kumar and Punnathanam, Sudeep N (2017) Molecular simulation of homogeneous crystal nucleation of AB(2) solid phase from a binary hard sphere mixture. In: JOURNAL OF CHEMICAL PHYSICS, 147 (6).

Bommineni, Praveen K and Punnathanam, Sudeep N (2016) Enhancement of nucleation of protein crystals on nano-wrinkled surfaces. In: FARADAY DISCUSSIONS, 186 . pp. 187-197.

Ravipati, Srikanth and Punnathanam, Sudeep N (2015) Improving the Rigor and Consistency of the Thermodynamic Theory for Clathrate Hydrates through Incorporation of Movement of Water Molecules of Hydrate Lattice. In: JOURNAL OF PHYSICAL CHEMISTRY C, 119 (22). pp. 12365-12377.

Ravipati, Srikanth and Punnathanam, Sudeep N (2014) Calculation of three-phase methane-ethane binary clathrate hydrate phase equilibrium from Monte Carlo molecular simulations. In: FLUID PHASE EQUILIBRIA, 376 . pp. 193-201.

Ganesh, Hari S and Punnathanam, Sudeep N (2014) Effect of adsorbate loading on selectivity during adsorption of C/C and C/C n-alkane binary mixtures in silicalite. In: ADSORPTION-JOURNAL OF THE INTERNATIONAL ADSORPTION SOCIETY, 20 (5-6). pp. 729-736.

Dasgupta, Tonnishtha and Punnathanam, Sudeep N and Ayappa, KG (2014) Effect of functional groups on separating carbon dioxide from CO2/N-2 gas mixtures using edge functionalized graphene nanoribbons. In: CHEMICAL ENGINEERING SCIENCE, 121 . pp. 279-291.

Punnathanam, Sudeep N (2014) A Gibbs-ensemble based technique for Monte Carlo simulation of electric double layer capacitors (EDLC) at constant voltage. In: JOURNAL OF CHEMICAL PHYSICS, 140 (17).

Punnathanam, Sudeep N (2013) Note: Effect of fluid phase compositions on the formation of substitutionally ordered solid phases from a binary mixture of oppositely charged colloidal suspensions. In: Journal of Chemical Physics, 139 (8). 086101_1-086101_2.

Ganagalla, Srinivasa Rao and Punnathanam, Sudeep N (2013) Free energy barriers for homogeneous crystal nucleation in a eutectic system of binary hard spheres. In: Journal of Chemical Physics, 138 (17). 174503_1-174503_8.

Ravipati, Srikanth and Punnathanam, Sudeep N (2013) Calculation of Chemical Potentials and Occupancies in Clathrate Hydrates through Monte Carlo Molecular Simulations. In: JOURNAL OF PHYSICAL CHEMISTRY C, 117 (36). pp. 18549-18555.

Pavaskar, Ganeshprasad and Punnathanam, Sudeep N (2013) Determination of favorable inter-particle interactions for formation of substitutionally ordered solid phases from a binary mixture of oppositely charged colloidal suspensions. In: Journal of Chemical Physics, 138 (17). 174504_1-174504_7.

Pavaskar, Ganeshprasad and Sharma, Siddharth and Punnathanam, Sudeep N (2012) Effect of charge asymmetry and charge screening on structure of superlattices formed by oppositely charged colloidal particles. In: Journal of Chemical Physics, The, 136 (13).

Kandagal, Vinay S and Pathak, Amardeep and Ayappa, KG and Punnathanam, Sudeep N (2012) Adsorption on Edge-Functionalized Bilayer Graphene Nanoribbons: Assessing the Role of Functional Groups in Methane Uptake. In: JOURNAL OF PHYSICAL CHEMISTRY C, 116 (44). pp. 23394-23403.

Ravipati, Srikanth and Punnathanam, Sudeep N (2012) Analysis of Parameter Values in the van der Waals and Platteeuw Theory for Methane Hydrates Using Monte Carlo Molecular Simulations (vol 51, pg 9419, 2012). In: INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH, 51 (48). pp. 15796-15798.

Wood, Brandon C and Bhide, Shreyas Y and Dutta, Debosruti and Kandagal, Vinay S and Pathak, Amar Deep and Punnathanam, Sudeep N and Ayappa, KG and Narasimhan, Shobhana (2012) Methane and carbon dioxide adsorption on edge-functionalized graphene: a comparative DFT study. In: Journal of Chemical Physics, 137 (5). 054702-1.

Ravipati, Srikanth and Punnathanam, Sudeep N. (2011) Analysis of Parameter Values in the van der Waals and Platteeuw Theory for Methane Hydrates Using Monte Carlo Molecular Simulations. In: INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH, 51 (27). pp. 9419-9426.