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1 Validation of the CO2/N2O analogy using molecular simulation
article 2014    
Author: Chen, Q. · Balaji, S.P. · Ramdin, M. · GutiĆ©rrez-Sevillano, J.J. · Bardow, A. · Goetheer, E.L.V. · Vlugt, T.J.H.
Keywords: Chemistry · Diffusion · Ethanolamines · Heptane · Molecular structure · Monte Carlo methods · Organic solvents · Reaction kinetics · Solvents · Amine solutions · Diffusion properties · Force fields · Henry coefficients · Molecular dynamics simulations · Molecular simulations · Physical absorption · Self-diffusivity · Carbon dioxide · High Tech Systems & Materials · Industrial Innovation · Fluid Mechanics Chemistry & Energetics · PID - Process & Instrument Development · TS - Technical Sciences
[Abstract]

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