The thermal performance and mechanical stability of methacrylic acid porous hydrogels in an aqueous medium at different initial temperatures and hydrogel volume fraction using the molecular dynamics simulation

Hydrogels are insoluble and often in the form of a three-dimensional polymer network and can absorb body fluids in the biological environment. Such materials are created from hydrophilic monomers and sometimes from another type of monomers called hydrophobic monomers for use in special applications. Synthetic polymers are inherently hydrophobic and have better chemical stability than natural polymers. In this research, the TP (thermal properties) and MP (mechanical properties) of methacrylic acid porous hydrogels in an aqueous me-dium have been studied using molecular dynamics (MD) simulation. The results showed the hydrogel's thermal conductivity (TC) increased from 0.103 to 0.114 W/m.K by increasing the volume fraction (VF) from 5 to 15%. Also, Young's modulus (YM) and ultimate strength (US) increased from 247 MPa and 131 to 274 MPa and 146 MPa, respectively. The TC of hydrogel increased from 0.103 to 0.116 W/m.K with increasing initial temperature (IT) from 300 to 350 K. The strength of the sample decreased from 131.78 to 115.97 MPa by increasing the IT to 350 K at a stress of 32%. It is expected that various medical and industrial applications will be improved by investigating and optimizing the investigated parameters in hydrogels.

Automated summary

In this research, the thermal and mechanical properties of methacrylic acid porous hydrogels in an aqueous medium were studied using molecular dynamics simulation. The results showed that increasing the volume fraction increased the thermal conductivity and increasing the initial temperature decreased the strength of the sample.