Experimental and theoretical studies of carboxylic polymers with low molecular weight as inhibitors for calcium carbonate scale

Poly acrylic acid (PAA) and polyepoxysuccinic acid (PESA) were investigated as scale inhibitors. The static experiments certified that PAA was superior to PESA for the inhibition of calcium carbonate in the low molecular weight range. The X-ray diffraction patterns suggest that the effect of PAA on the calcite (1 0 4) and (1 1 0) crystal plane was more obvious. Scanning electron microscopy was used to study the surface morphology of the depositions, which indicated that the addition of scale inhibitors could disturb the normal growth of CaCO₃ scale. The transmittance ratio of ferric oxide demonstrated that PAA had a better dispersion performance than PESA. The molecular dynamics simulation and quantum calculation were selected to theoretically explore the mechanism and structure of scale inhibitors, indicating that the interaction of PAA with (1 0 4) and (1 1 0) calcite crystal surfaces was stronger than PESA. In addition, the results indicated that the PAA with negative charge more easily adsorbed free Ca²⁺ in the aqueous phase. Based on these observations, PAA exhibited better scale inhibition and dispersion effects than PESA in the case of low molecular weight.