Abstract Herein the components of the nanoscale structure of a bicontinuous interfacially jammed emulsion gel (bijel) were modeled using coarse‐graining (Dissipative Particle Dynamics, DPD). The details of the computational approach are described and validated. The behavior of a macromolecule was then investigated in both continuous phases of the bijel, with emphasis on the computational protocol for obtaining physically sound and verified properties at the macroscale. Sensitivity analysis was performed and a regression model was developed that predicts the macromolecule structure given the DPD model parameters. The case study of messenger ribonucleic acid biopolymer in the system followed, allowing the investigation of its interactions with each of the bijel solvents and comparisons to experiments and theory. Finally, the diffusivity of the mRNA in each phase was computed, providing insights for designing reaction‐separation bijel systems.
Portella et al. (Fri,) studied this question.