Abstract

• Novel polyaluminum-titanium chloride composites were synthesized. • The interactions between Al and Ti in PATC were confirmed. • The introduction of Ti influenced the species distribution of Al. • PATC had high positive charges and large molecular weights. • The existence of Ti in PATC improved its coagulation performance. Safe and effective coagulants are necessary for surface water treatment. The polyaluminum-titanium chloride (PATC) composite coagulant has promise but its application is limited due to the lack of fundamental theoretical research. We prepared a series of novel PATCs and investigated the effects of the interaction between Al (III) and Ti (IV) on the chemical species distribution, physicochemical properties and coagulation efficiencies. The Al-O-Ti bonds observed in the PATC infrared spectra were predicted by density functional theory computation to appear in 4-atom rings in the structure. The differences in Al species distribution of PATC and PAC illustrated that the introduction of Ti retarded the hydrolysis of monomeric Al species (Al a ) and medium polymerized Al species (Al b ) to colloidal Al species (Al c ) at low B levels, but the transformation was promoted at high basicities (B). PATCs exhibited higher charge densities and larger molecular weights than PAC at the same B levels, which contributed to their excellent coagulation efficiencies. PATC with low B values but high Al/Ti molar ratios mainly provided charge neutralization in removal of humic acid kaolin, while the dominant coagulation mechanism converted from charge neutralization to sweeping and bridging effects at high B values or low Al/Ti molar ratios.

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