Real and In Silico Microgels Show Comparable Bulk Moduli Below and Above the Volume Phase Transition

Abstract

AbstractThe compressibility of soft colloids influences their phase behavior and flow properties, especially in concentrated suspensions. Particle compressibility, which is proportional to the reciprocal of the bulk modulus K, is a key parameter for soft polymer‐based particles that can be compressed in crowded environments. Here, microgels with different degrees of cross‐linking, i.e., softness, are investigated below and above their volume phase transition temperature (VPTT). By combining molecular dynamics simulations with small‐angle neutron scattering with contrast variation, a change in the particle bulk moduli of two orders of magnitude is observed. The degree of cross‐linking has a significant impact on the bulk modulus of the swollen microgel, while above the VPTT the values of K are almost independent of the cross‐linking density. The excellent agreement between experimental results and simulations also highlight that the model microgels from computer simulations possess both the internal architecture and the elastic properties of real polymeric networks. This paves the way to a systematic use of simulations to investigate the behavior of dense microgel suspensions below and above their VPTT.