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physics.chem-ph2017
Non-equilibrium effects on thermal ignition using hard sphere molecular dynamics simulations
R. Murugesan, N. Sirmas, M. I. Radulescu
The present study addresses the role of molecular non-equilibrium effects in thermal ignition problems. We consider a single binary reaction of the form A+B -> C+C. Molecular dynam…
physics.chem-ph2016
Thermal ignition revisited with two-dimensional molecular dynamics: role of fluctuations in activated collisions
Nick Sirmas, Matei I. Radulescu
The problem of thermal ignition in a homogeneous gas is revisited from a molecular dynamics perspective. A two-dimensional model is adopted, which assumes reactive disks of type A…