Reactor temporal superstructure

If a model is available for the reaction chemistry and kinetics, then a temporal superstructure can be developed to represent a batch reactor in the time dimension with a series of reactor compartments that connect to each other sequentially in the time dimension3. This temporal superstructure network, representing a batch reactor, is created... 

Figure 14.2 A temporal superstructure for a well-mixed batch reactor.

Thus, the design equations for a batch reactor for the optimization of a temporal superstructure can be based on differential or algebraic equations. 

Figure 14.3 shows a temporal superstructure for a multiphase batch reactor3. As with the continuous steady state reactors discussed in Chapter 7, mass transfer is only allowed between adjacent reactor compartments. 

Thus, the design of a batch reactor can be based on the optimization of a temporal superstructure. Given a simulation model with a mathematical formulation, the next step is to determine the optimal values for the control variables of a batch reaction system. 

If the rate of feed addition, rate of product takeoff, temperature and pressure are known in each time interval, a simulation of the reactor can be carried out in that time interval. The problem is that the conditions will change from one time interval to subsequent time intervals. The profile of the dynamic variables (feed addition, product takeoff, temperature and pressure) need to be known through time. In the approach described in Chapter 3 for profile optimization5, a shape can be imposed for a given variable through time and the dynamic variables optimized in conjunction with the temporal superstructure. One profile for each dynamic variable is assigned to the... 

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