Search results for "Temperature jump"
showing 4 items of 4 documents
The heat of transfer in a chemical reaction at equilibrium.
2007
International audience; We study a reacting mixture (2F $ F2) in a temperature gradient. We had previously used boundary-driven non-equilibrium molecular dynamics (NEMD) simulations to study this system, and found that the reaction was close to local chemical equilibrium in temperature gradients up to 1012 K/m. Using the condition of local chemical equilibrium, we show that the heat of transfer of the reacting mixture is equal to minus the enthalpy of the reaction. The fact that the sign of the heat of transfer is determined by the type of reaction adds insight to the discussion of the origin of the sign
Aging effects manifested in the potential-energy landscape of a model glass former
2010
We present molecular dynamics simulations of a model glass-forming liquid (the binary Kob-Anderson Lennard-Jones model) and consider the distributions of inherent energies and metabasins during aging. In addition to the typical protocol of performing a temperature jump from a high temperature to a low destination temperature, we consider the temporal evolution of the distributions after an 'up-jump', i.e. from a low to a high temperature. In this case the distribution of megabasin energies exhibits a transient two-peak structure. Our results can qualitatively be rationalized in terms of a trap model with a Gaussian distribution of trap energies. The analysis is performed for different syste…
Phase behaviour of poly(vinyl methyl ether)-cross-polystyrene semi-interpenetrating networks
1990
Semi-interpenetrating polymer networks of varying composition are prepared by crosslinking polystyrene containing a small number of maleic anhydride groups (4.8 mol% of MA units) with hexamethylene-diamine (HMDA) in the presence of linear poly(vinyl methyl ether) (PVME). Lightly crosslinked samples are homogeneous at room temperature and show a phase behaviour similar to uncrosslinked blends, i.e. lower critical solution temperature (LCST) behaviour. The influence of crosslinking on the phase behaviour has been studied by small angle light scattering (SALS) and turbidity measurements. The cloud point strongly depends on the heating rate. The presence of the network reduces the stable single…
Structure relaxation after temperature jumps in homogeneous polystyrene/poly(styrene-co-bromostyrene) blends
1988
Concentration fluctuations in polymer blends and their change after a temperature jump were studied by time-dependent small angle X-ray scattering experiments. Measurements were conducted on homogeneous mixtures of polystyrene and a partially brominated derivative. Structure factors in thermal equilibrium show the form given by the random phase approximation, thus enabling a direct determination of theχ-parameter and the mean radius of gyration. TheT-dependence ofχ can be understood as the result of superposed enthalpic contributions and a free volume term. In theT-jump experiments, samples were quenched to temperatures near Tg. Relaxation occurs on the time scale of minutes and is nonexpon…