Balaji, S.P. (author), Gangarapu, S. (author), Ramdin, M. (author), Torres-Knoop, A. (author), Zuilhof, H. (author), Goetheer, E.L.V. (author), Dubbeldam, D. (author), Vlugt, T.J.H. (author) Molecular simulations were used to compute the equilibrium concentrations of the different species in CO2/monoethanolamine solutions for different CO2 loadings. Simulations were performed in the Reaction Ensemble using the continuous fractional component Monte Carlo method at temperatures of 293, 333, and 353 K. The resulting computed...
article 2015
