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Polymeric Silica Scale Inhibitors: Computational Predictions And Experimental Studies On Inhibitor Efficiencies

Inorganic scaling and fouling are undesirable processes occurring in process waters that are supersaturated with respect to scaling cations and anions. Mineral scaling is the result of nucleation and crystal growth phenomena that follow predictable pathways. This is because the mineral scales are composed of well-defined crystalline salts, the most common being calcium carbonate, calcium sulfate dehydrate (gypsum), metal sulfides, depending on the particular water chemistry and operational parameters (eg. temperature).

Product Number: 51322-17706-SG
Author: Efstratios Korhatzis, Konstantinos Xanthopoulos, Konstantinos D. Demadis
Publication Date: 2022
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In the present work we present experimental and computational results on the efficacy of two simple polymers, polyethylene glycol (PEG) and polyvinyl alcohol (PVA) on silica scale inhibition. The aim of this study is to compare the experimental and computational approaches, in order to explain why PEG is an effective silica inhibitor, while PVA is not. Based on the computational studies, PVA prefers to form interactions between the polymeric chains and not between the polymeric chains and the silicic acid molecules. In contrast, PEG does induce stabilizing interactions between the polymeric chains and the silicic acid molecules. These computational predictions are confirmed by experimental scale inhibition studies, which prove indeed that PEG is an efficient silica scale inhibitor, whereas PVA is not.

In the present work we present experimental and computational results on the efficacy of two simple polymers, polyethylene glycol (PEG) and polyvinyl alcohol (PVA) on silica scale inhibition. The aim of this study is to compare the experimental and computational approaches, in order to explain why PEG is an effective silica inhibitor, while PVA is not. Based on the computational studies, PVA prefers to form interactions between the polymeric chains and not between the polymeric chains and the silicic acid molecules. In contrast, PEG does induce stabilizing interactions between the polymeric chains and the silicic acid molecules. These computational predictions are confirmed by experimental scale inhibition studies, which prove indeed that PEG is an efficient silica scale inhibitor, whereas PVA is not.

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