Valorization of Crocus Sativus L waste extracts as efficient, eco-friendly and economical inhibitors of scaling: Experimental and computational investigations

Abstract

The valorization of biomass and the use of plant extracts as new green inhibitors of scaling are amongthe most innovative research topics. In this light, this study aims to evaluate the effectiveness of two extracts of Crocus Sativus L (CSL) wastes towards the formation of calcareous scale, namely the Aqueous Extract of Leaf (ALE) and the Aqueous Extract of Petal and Stamen (AEPS). Folin-Ciocalteau and colorimetric methods are used to determine thetotal polyphenols and flavonoids contents, respectively. Then, the anti-scaling property of the investigated extracts is determined using a conductivity test and the Laboratory of Chemistry and Genie of the Environment (LCGE) technique at a temperature of 25 °C. After that, scanning electron microscopy (SEM) and Fourier transform infrared spectroscopy (FTIR) analysesare employed to examine the formed scale during the LCGE tests. To support the experimental findings, Molecular Dynamic (MD) simulations and Density Functional Theory (DFT) calculations are carried out. The data obtained revealed that AEPS has a higher concentration of total polyphenol and flavonoids than ALE. Total inhibition occurs after the addition of 60 mg‧L-1 of AEPS to the calco-carbonic solution with a hardness of 40°F. Whereas an amount of 82 mg‧L-1 of ALE was the optimal concentration to completely inhibit CaCO3 formation. This allows us to conclude that the anti-scaling effectiveness is correlated with polyphenols and flavonoids contents in CSL extracts. SEM and FTIR analyses reveal that the crystallization of CaCO3 without inhibitor was a stable variety of calcite with a rhombohedral form. However, the presence of a low concentration of AEPS (20 mg‧L-1) resulted in a significant modification on the morphology of CaCO3 and a mixture of vaterite with calcite phases. The theoretical outcomes agree with the anti-scaling efficiencies reported experimentally. Based on these results, the CSL biomass could be an interesting renewable source of eco-friendly and inexpensive inhibitors of scaling.