Laboratory Of Computational Materials Science For Energy Applications 1
1. An iterative approach for the parameter estimation of shear-rate and temperature-dependent rheological models for polymeric liquids
2. Extensional rheometry of model liquids: Simulations of filament stretching
3. Binding and Degradation Reaction of Hydroxide Ions with Several Quaternary Ammonium Head Groups of Anion Exchange Membranes Investigated by the DFT Method
4. Effect of Hydration on the Intermolecular Interaction of Various Quaternary Ammonium Based Head Groups with Hydroxide Ion of Anion Exchange Membrane Studied at the Molecular Level
5. Molecular Modeling in Anion Exchange Membrane Research: A Brief Review of Recent Applications
6. Advances in sour gas injection for enhanced oil recovery-an economical and environmental way for handling excessively produced H2S
7. Impact of gas composition and reservoir heterogeneity on miscible sour gas flooding — A simulation study
8. Density Functional Theory Investigation of Intermolecular Interactions for Hydrogen-Bonded Deep Eutectic Solvents
9. Obtaining the Dimensions and Orientation of 2D Rectangular Flakes from Sectioning Experiments in Flake Composites
10. Phase Behavior of Ion-Containing Polymers in Polar Solvents: Predictions from a Liquid-State Theory with Local Short-Range Interactions
11. Conformation and Ionization Behavior of Charge-Regulating Polyelectrolyte Brushes in a Poor Solvent
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