Litcius/Paper detail

The equation of state and shock-driven decomposition of polymethylmethacrylate (PMMA)

Joshua D. Coe, Meghan Lentz, Kirill A. Velizhanin, J. Tinka Gammel, John Kaushagen, Keith Jones, Kyle Cochrane

2022Journal of Applied Physics13 citationsDOIOpen Access PDF

Abstract

We present new equations of state (EOS) for polymethylmethacrylate and its shock-driven decomposition products, generated in both tabular form and as linear US−up fits to all previously available shock data. Different approaches are taken for materials shocked above and below the apparent threshold for chemical reactions at pressures P≈30 GPa. Both EOSs are calibrated to and compared with a broad array of experimental results, as well as new ab initio molecular dynamics simulations presented here. Comparisons are good in most cases, and we focus our particular attention on those observables that test the distinction between reactants and products.

Topics & Concepts

Shock (circulatory)ObservableDecompositionFocus (optics)Equation of stateStatistical physicsAb initio quantum chemistry methodsAb initioThermodynamicsComputational chemistryTheoretical physicsMaterials scienceChemistryPhysicsQuantum mechanicsMoleculeOrganic chemistryOpticsMedicineInternal medicineHigh-pressure geophysics and materialsAdvanced Chemical Physics StudiesEnergetic Materials and Combustion