Reconfiguring Molecular Conformation from Comb-Type to Y-Type for Improving Dispersion Performance of Polycarboxylate Superplasticizers

Steric repulsive force is the main dispersion force between cement particles. In order to improve the dispersibility of polycarboxylate superplasticizers (PCEs), we designed and synthesized a new Y-type macromonomer (YPEG) with a molecular weight of Mw = 4100 Da. A long side chain-branched polycarboxylate superplasticizer (YPCE) was successfully synthesized by employing YPEG. Several common comb PCEs having the same side chain density but different lengths, such as PCE2400 and PCE4000, are employed to compare with YPCE for evaluating the dispersion performance. The results show that YPCE has a more excellent dispersion performance than the common PCEs under different water–cement ratios. Additionally, YPCE shows stronger water reduction for concrete. Furthermore, a dynamic light scattering study elucidates that YPCE can increase the adsorbed layer thickness from 5.6 to 7.9 nm, thus forming stronger steric hindrance. Simulations using molecular dynamics are conducted to investigate the influence of the conformational transformation of PCEs from comb-type to Y-type on the adsorption configuration and radius of gyration (Rg) of PCEs on calcium silicate hydrate surface. It is observed that the side chain of YPCE remains in an extended state, and Rg fluctuates little during the fitting process. This study provides a new strategy to enhance the steric hindrance of PCEs.