Noura Dawass

B IBLIOGRAPHY 157 [211] C. D. Wick, M. G. Martin, and J. I. Siepmann, Transferable potentials for phase equilibria. 4. United–atom description of linear and branched alkenes and alkylbenzenes, Journal of Physical Chemistry B 104 , 8008–8016 (2000). [212] J. J. Potoff and J. I. Siepmann, Vapor–liquid equilibria of mixtures contain- ing alkanes, carbon dioxide, and nitrogen, AIChE Journal 47 , 1676–1682 (2001). [213] M. S. Shah, M. Tsapatsis, and J. I. Siepmann, Development of the transfer- able potentials for phase equilibria model for hydrogen sulfide, Journal of Physical Chemistry B 119 , 7041–7052 (2015). [214] J. Gross and G. Sadowski, Perturbed-chain SAFT: An equation of state based on a perturbation theory for chain molecules, Industrial & Engineering Chemistry Research 40 , 1244–1260 (2001). [215] N. I. Diamantonis, G. C. Boulougouris, E. Mansoor, D. M. Tsangaris, and I. G. Economou, Evaluation of cubic, SAFT, and PC-SAFT equations of state for the vapor–liquid equilibriummodeling of CO 2 mixtures with other gases, Industrial & Engineering Chemistry Research 52 , 3933–3942 (2013). [216] W. Shi and E. J. Maginn, Atomistic simulation of the absorption of carbon dioxide and water in the ionic liquid 1-n-Hexyl-3-methylimidazolium Bis (trifluoromethylsulfonyl) imide ([hmim][Tf2N], Journal of Physical Chem- istry B 112 , 2045–2055 (2008). [217] A. Torres-Knoop, S. P. Balaji, T. J. H. Vlugt, and D. Dubbeldam, A compari- son of advanced Monte Carlo methods for open systems: CFCMC vs CBMC, Journal of Chemical Theory and Computation 10 , 942–952 (2014). [218] T. T. Pham and M. R. Shirts, Identifying low variance pathways for free en- ergy calculations of molecular transformations in solution phase, Journal of Chemical Physics 135 , 034114 (2011). [219] A. Rahbari, R. Hens, S. H. Jamali, M. Ramdin, D. Dubbeldam, and T. J. H. Vlugt, Effect of truncating electrostatic interactions on predicting thermo- dynamic properties of water–methanol systems, Molecular Simulation 45 , 336–350 (2019). [220] M. R. Shirts, J. W. Pitera, W. C. Swope, and V. S. Pande, Extremely precise free energy calculations of amino acid side chain analogs: Comparison of common molecular mechanics force fields for proteins, Journal of Chemical Physics 119 , 5740–5761 (2003).