Noura Dawass

L IST OF P UBLICATIONS Publications included in this thesis: 1. N. Dawass, P Krüger, S K Schnell, D Bedeaux, S Kjelstrup, J M Simon, and T J H Vlugt, Finite-size effects of Kirkwood–Buff integrals from molecular simulations , Molecular Simulation, 44 , 599–612 (2017). 2. N. Dawass, P Krüger, J M Simon, and T J H Vlugt, Kirkwood–Buff integrals of finite systems: Shape effects , Molecular Physics, 116 , 1573–1580 (2018). 3. N. Dawass, P Krüger, S K Schnell, J M Simon, and T J H Vlugt, Kirkwood- Buff integrals from molecular simulation , Fluid Phase Equilibria, 486 , 21– 36 (2019). 4. N. Dawass, P Krüger, S K Schnell, O. A. Moultos, I. G. Economou, T J H Vlugt, and J M Simon, Kirkwood–Buff Integrals Using Molecular Simula- tion: Estimation of Surface Effects , Nanomaterials, 10 , 771 (2020). 5. N. Dawass, R. R. Wanderley, M. Ramdin, O. A. Moultos, H. K. Knuutila and T.J.H. Vlugt, Solubility of Carbon Dioxide, Hydrogen Sulfide, Methane, and Nitrogen in Monoethylene Glycol; Experiments and Molecular Simulation , Journal of Chemical & Engineering Data, 66 , 524–534 (2020). 6. A. T. Celebi, N. Dawass, O. A. Moultos, and T.J.H. Vlugt, How sensitive are physical properties of choline chloride–urea mixtures to composition changes: Molecular Dynamics simulations and Kirkwood Buff theory , Jour- nal of Chemical Physics, 154 , 184502 (2021). Publications not included in this thesis: 1. R. Hens, A. Rahbari, S. Caro–Ortiz, N. Dawass, M. Erd˝os, A. Poursaeidesfa- hani, H. Salehi, A. Celebi, M. Ramdin, O. A. Moultos, D. Dubbeldam, and T. J. H. Vlugt, Brick–CFCMC: Open source software for Monte Carlo simu- lations of phase and reaction equilibria using the Continuous Fractional Component method , Journal of Chemical Information and Modelling, 60 , 2678–2682 (2020). 171