PEGDA hydrogel structure from semi-dilute concentrations: insights from experiments and molecular simulations

Abstract

A combined experimental and computational approach highlights the connection of polymer chain interactions with hydrogel structure and performance. This work provides a foundation for the design of hydrogels for applications beyond dilute conditions.

Effect of the degree of polymerization and water content on the thermal transport phenomena in PEGDA hydrogel: a molecular-dynamics-based study

“…Above this critical concentration in dilute solutions, the polymer chains exist in an unentangled state, and overlapping chains dominate the physical properties. 32 It has also been reported in the literature 32 that, upon further increasing the polymer concentration in the dilute solution to the critical entanglement concentration, the unentangled chains shift to entanglement. During entanglement, the dynamics of the polymer chains are restricted.…”

“…18 The difference between the initial macromer concentrations employed in simulations and experiments is also associated with the offset in the mesh size calculated via simulations and experimental studies. 32…”

“…18 The difference between the initial macromer concentrations employed in simulations and experiments is also associated with the offset in the mesh size calculated via simulations and experimental studies. 32 The equilibrium mesh size and density of the PEGDA hydrogel with different degrees of polymerization in conjunction with the water content are tabulated in Table 2. It can be concluded that with the degree of polymerization, the mesh size of the hydrogel also increases, and PEGDA-23 has a higher mesh size at all water concentrations; thus, our proposed model and force field show results in agreement with those in earlier research.…”

“…So far, researchers have reported extensive literature on the mechanical properties of PEGDA hydrogels. 17,32 However, there are almost no reports in the literature on the thermal transport phenomena in PEGDA hydrogels. The author would like to mention that limited work This journal is © the Owner Societies 2023 has been reported on the thermal transport phenomenon in hydrogels, in particular PEGDA hydrogels.…”

Single-Particle Tracking in Poly(Ethylene Glycol) Diacrylate: Probe Size Effect on the Diffusion Behaviors of Nanoparticles in Unentangled Polymer Solutions

“…Anomalous diffusion of molecules and particles in various environments has also been thoroughly investigated using theoretical computer simulations. − These works have been mainly conducted to confirm existing experimental findings and/or study transport phenomena in systems, which are experimentally too challenging to undertake. Through these theoretical works, it becomes clear that there are a wealth of physical reasons and interactions playing a profound role in defining the hindered diffusion of tracer particles in hydrogels, in liquids, and at interfaces .…”