Chemical and Bioprocess Engineering Research Collection

The dynamical properties of physically and chemically adsorbed water molecules at pristine hematite-(001) surfaces have been studied by means of equilibrium Born–Oppenheimer molecular dynamics (BOMD) in the NVT ensemble at 298 K. The dissociation of water molecules to form chemically adsorbed species was scrutinised, in addition to ‘hopping’ or swapping events of protons between water molecules. Particular foci have been dynamical properties of the adsorbed water molecules and OH− and H3O+ ions, the hydrogen bonds between protons in water molecules and the bridging oxygen atoms at the hematite surface, as well as the interactions between oxygen atoms in adsorbed water molecules and iron atoms at the hematite surface. Experimental results for photoelectrical current generation complement simulation findings of water dissociation.

The present study was conducted to evaluate the potential of the fungus Cunninghamella elegans for simultaneous decolourisation of a triphenylmethane dye malachite green (MG) and hexavalent chromium [Cr(VI)] in the same media. This fungus can degrade MG through its reduction into leucomalachite green and then demethylation followed by oxidative cleavage. Along with MG degradation, C. elegans biofilm could effectively and repeatedly remove Cr(VI) from the liquid cultures even in the presence of high concentrations (40 g L−1) of NaCl and various other metal ions. C. elegans biofilm was also found to adsorb different dyes (reactive black-5, acid orange 7, direct red 81 and brilliant blue G) concurrently with Cr(VI). Based on its potential for simultaneous removal of dyes and Cr(VI) as well as reusability, C. elegans biofilm is envisaged as an efficient bioresource to devise strategies for treatment of wastewaters loaded with multiple pollutants.