Molecular simulation of oligomer inhibitors for calcite scale

Simulation results show that, for calcite scale inhibition, acrylamide (AM) and vinyl phosphonic acid are the most efficient monomers. Increasing proportion of AM in dimer inhibitor molecule would improve the inhibition efficiency of maleic anhydride (MA), though, for a trimer inhibitor of MA, AM and acrylic acid, certain sequence of monomers in the inhibitor molecule was necessary besides higher proportion of AM.