The behaviour of aluminium ions in artificial saliva and the impact of the chlorhexidine digluconate on its removal – A diffusion model

Abstract

Diffusion coefficients for aluminum chloride in artificial saliva or chlorhexidine digluconate solutions (pure and commercially, frequently used as a mouthwash), at tracer concentrations (D0T) at 298.15 K and at different pH, as well as ternary diffusion for aqueous AlCl3 and chlorhexidine digluconate solutions, were measured by using the Taylor dispersion technique.Notable coupled diffusion of AlCl3 and chlorhexidine digluconate is observed by obtaining of the negative values of the cross-diffusion coefficients, D21. These results show the occurrence of complex structures formed between Al3+ and gluconate anions. Support for these facts are given by molecular dynamics simulations (MDS).