The computation of the velocity, concentration, and temperature fields during a gas-phase oscillatory reaction in a closed vessel with natural convection

The behaviour of Sal’nikov’s reaction, P → A → B, in a spherical batch reactor with the diffusion of heat and matter

“…This arrangement is suitable for studying Sal'nikov's reaction in the well-mixed limit; however, it is not suitable for cases that are not spatially uniform. This reaction has also been studied numerically in the well mixed and zero gravity extremes 24,25 as well as when natural convection is present [11][12][13][14][15] . The reaction between hydrogen and chlorine, using similar experimental techniques, has also been used as a model of Sal'nikov's reaction 24 .…”

“…The reaction between hydrogen and chlorine, using similar experimental techniques, has also been used as a model of Sal'nikov's reaction 24 . The following parameters were chosen to match those used in previous numerical studies of the di-t-butyl peroxide reaction [11][12][13][14][15] . The temperature of the wall of the spherical reactor The value of  diffusion was therefore altered by changing the radius of the reactor, L. We note that a similar variation in  diffusion could alternatively be achieved by maintaining a constant vessel radius, and altering the diffusivity, as was done by Fairlie and Griffiths 25 , who considered reaction occurring in a vessel of radius 0.0492 m with diffusivities of 3 × 10 -4 and 6 × 10 -4 m 2 s -1 .…”

“…Its inclusion arises from the standard definition of the thermal diffusivity,  = k T / ( C P ). The thermal diffusivity has been defined thus to enable comparison between the results in a purely diffusive system, with one in which convection plays a role [11][12][13][14][15] . To achieve the required form of , each term in Eq.…”

“…natural convection is induced. This convection can significantly alter the behaviour within the reactor whilst the reaction proceeds; these effects have been studied numerically recently [11][12][13][14][15] . The other case to consider is that when convection is eliminated from the unstirred vessel, so that diffusion is the only mode of heat and mass transfer in the reactor.…”

A Scaling Analysis of the Effects of Natural Convection, when Sal’nikov's Reaction: P→A→B Occurs, Together With Diffusion and Heat Transfer in a Batch Reactor

“…More recently, numerical studies have investigated the influence of natural convection on Sal"nikov"s reaction. Thus Cardoso et al (2004a) reported some preliminary results on the development of natural convection in a spherical vessel containing a gas undergoing Sal"nikov"s reaction. The development of convection was considered in greater detail by Cardoso et al (2004b), who proposed the regime diagram shown in Figure 1 to describe the behaviour of the system.…”