Browsing Faculty of Engineering by Author "10073817 - Van Sittert, Cornelia Gertina Catharina Elizabeth"

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Density functional theory molecular modelling and experimental particle kinetics for CO2-char gasification

Roberts, Mokone J.; Everson, Raymond C.; Neomagus, Hein W.J.P.; Van Sittert, Cornelia G.C.E.; Okolo, Gregory N. (Elsevier, 2015)

Experimental measurements and DFT atomistic modelling were conducted to elucidate the mechanisms for gasification chemistry of char with CO2 gas. The molecular models used were based on experimental representations of coal ...