Determining Parameters in Thermodynamic Models

Relevant Publications

1. Saravi, S. H.; Ravichandran, A.; Khare, R.; Chen, C.-C.; “Bridging two-liquid theory with molecular simulations for electrolytes: An investigation of aqueous NaCl solution”, AIChE J., 65, 1315-1324 (2019).
2. Ravichandran, A.; Chen, C.-C.; Khare, R.; “Prediction of χ parameter of polymer blends by combining molecular simulations and integral equation theory”, J. Phys. Chem. B, 122, 9022-9031 (2018).
3. Hossain, N.; Ravichandran, A.; Khare, R.; Chen, C.-C.; “Revisiting electrolyte thermodynamic models: Insight from molecular simulations”, AIChE J., 64, 3728-3734 (2018).
4. Ravichandran, A.; Khare, R.; Chen, C.-C.; “Predicting NRTL binary interaction parameters from molecular simulations”, AIChE J., 64, 2758-2769 (2018).