| Abstrakt: |
Although methods such as electrolytic corrosion protection are widely used to prevent rebar corrosion, they are expensive. Therefore, studies have been conducted to utilize the reducing sugar to prevent the corrosion of steel bars in concrete. However, the detailed mechanism underlying the reducing effects of various sugars is unknown, and the application conditions required for practical use are not fully understood. The magnitude of the reducing ability of various sugars was experimentally quantified in this study, and molecular orbital calculations were used to identify the molecular structures that are likely to exhibit reducing ability. The magnitude of the sugars' redox reaction was determined using Fehling's solution and Benedict's reagent. Therefore, the reducing ability of the sugars used in the experiments could be quantified to some extent, though the reactivity to various test reagents varied depending on the sugars. These two experiments revealed that fructose, which has a ketone group, exhibited the highest reactivity. The Discrete Variational-Xa method was used to search for sugars with small energy differences in the molecular orbital calculations to determine the highest occupied molecular orbital-lowest unoccupied molecular orbital (HOMO-LUMO) gap. Because the high reactivity of sugars is related to their high reducing ability, sugars with high reducing abilities were identified from the calculation results. According to the calculation results, fructose exhibits a small HOMO-LUMO gap, which is consistent with the experimental results. [ABSTRACT FROM AUTHOR] |
