Adiabatic Chemical Reaction

With regard to application and construction, it is convenient to differentiate between fixed-bed reactors for adiabatic operation and those for nonadiabatic operation. Since temperature control is one of the most important methods to influence a chemical reaction, adiabatic reactors are used only where the heat of reaction is small, or where there is only one major reaction pathway in these cases no adverse effects on selectivity or yield due to the adiabatic temperature development are expected. The characteristic feature of an adiabatic reactor is that the catalyst is present in the form of a uniform fixed bed that is surrounded by an outer insulating jacket (Fig. 1A). Adiabatic reactor designs are discussed in Section 10.1.3.1. 

Adiabatic reactor with radial dispersion and chemical reaction Adiabatic reactor with axial dispersion and chemical reaction Not isothermal reactor with axial dispersion. 

Baer M 1985 The theory of electronic non-adiabatic transitions in chemical reactions Theory of Chemical Reaction Dynamics vol II, ed M Baer (Boca Raton, FL CRC Press) p 281... 

NON-ADIABATIC EFFECTS IN CHEMICAL REACTIONS EXTENDED BORN-OPPENHEIMER EQUATIONS AND ITS APPLICATIONS... 

In this chapter, we discussed the significance of the GP effect in chemical reactions, that is, the influence of the upper electronic state(s) on the reactive and nonreactive transition probabilities of the ground adiabatic state. In order to include this effect, the ordinary BO equations are extended either by using a HLH phase or by deriving them from first principles. Considering the HLH phase due to the presence of a conical intersection between the ground and the first excited state, the general fomi of the vector potential, hence the effective... 

In a two-lowest-electronic-state Bom-Huang description for a chemical reaction, the nuclei can move on both of two corresponding PESs during the reaction, due to the electronically non-adiabatic couplings between those states. A reactive scattering formalism for such a reaction involving a triatomic system... 

When the kinetics are unknown, still-useful information can be obtained by finding equilibrium compositions at fixed temperature or adiabatically, or at some specified approach to the adiabatic temperature, say within 25°C (45°F) of it. Such calculations require only an input of the components of the feed and produc ts and their thermodynamic properties, not their stoichiometric relations, and are based on Gibbs energy minimization. Computer programs appear, for instance, in Smith and Missen Chemical Reaction Equilibrium Analysis Theory and Algorithms, Wiley, 1982), but the problem often is laborious enough to warrant use of one of the several available commercial services and their data banks. Several simpler cases with specified stoichiometries are solved by Walas Phase Equilibiia in Chemical Engineering, Butterworths, 1985). 

---