Batch reactor selectivity

The same four operating steps are used with the complex batch reactor as with the simple batch reactor. The powerhil capabiUties of the complex batch reactor offset their relatively high capital cost. These reactors can operate at phenol to alkene mole ratios from 0.3 to 1 and up. This abiUty is achieved by designing for positive pressure operation, typically 200 to 2000 kPa (30 to 300 psig), and for the use of highly selective catalysts. Because these reactors can operate at low phenol to alkene mole ratios, they are ideal for production of di- and trialkylphenols. 

Specific reactor characteristics depend on the particular use of the reactor as a laboratory, pilot plant, or industrial unit. AH reactors have in common selected characteristics of four basic reactor types the weH-stirred batch reactor, the semibatch reactor, the continuous-flow stirred-tank reactor, and the tubular reactor (Fig. 1). A reactor may be represented by or modeled after one or a combination of these. SuitabHity of a model depends on the extent to which the impacts of the reactions, and thermal and transport processes, are predicted for conditions outside of the database used in developing the model (1-4). 

Selectivity A significant respect in which CSTRs may differ from batch (or PFR) reaclors is in the product distribution of complex reactions. However, each particular set of reactions must be treated individually to find the superiority. For the consecutive reactions A B C, Fig. 7-5b shows that a higher peak value of B is reached in batch reactors than in CSTRs as the number of stages increases the batch performance is approached. 

Limit the total possible charge to a batch reactor by using a precharge or feed tank of limited capacity. Alternatively, limit the addition rate by selecting a pump with a maximum capacity lower than the safe maximum addition rate for the process, or by using restriction orifices. 

Batch reactors give the lowest possible fraction unreacted and the highest possible conversion for most reactions. Batch reactors also give the best yields and selectivities. These terms refer to the desired product. The molar yield is the number of moles of a specified product that are made per mole... 

There are two important types of ideal, continuous-flow reactors the piston flow reactor or PFR, and the continuous-flow stirred tank reactor or CSTR. They behave very diflerently with respect to conversion and selectivity. The piston flow reactor behaves exactly like a batch reactor. It is usually visualized as a long tube as illustrated in Figure 1.3. Suppose a small clump of material enters the reactor at time t = 0 and flows from the inlet to the outlet. We suppose that there is no mixing between this particular clump and other clumps that entered at different times. The clump stays together and ages and reacts as it flows down the tube. After it has been in the piston flow reactor for t seconds, the clump will have the same composition as if it had been in a batch reactor for t seconds. The composition of a batch reactor varies with time. The composition of a small clump flowing through a piston flow reactor varies with time in the same way. It also varies with position down the tube. The relationship between time and position is... 

The reactions are still most often carried out in batch and semi-batch reactors, which implies that time-dependent, dynamic models are required to obtain a realistic description of the process. Diffusion and reaction in porous catalyst layers play a central role. The ultimate goal of the modehng based on the principles of chemical reaction engineering is the intensification of the process by maximizing the yields and selectivities of the desired products and optimizing the conditions for mass transfer. 

As expected, heat exchanged per unit of volume in the Shimtec reactor is better than the one in batch reactors (15-200 times higher) and operation periods are much smaller than in a semibatch reactor. These characteristics allow the implementation of exo- or endothermic reactions at extreme operating temperatures or concentrations while reducing needs in purifying and separating processes and thus in raw materials. Indeed, since supply or removal of heat is enhanced, semibatch mode or dilutions become useless and therefore, there is an increase in selectivity and yield. 

Since isobutane is hydrogenolyzed faster than neopentane, selectivity at 0% conversion is difficult to measure in a batch reactor... 

Bio-ethanol is attracting growing interests in relation to the shift of raw materials from petroleum to biomass. A pioneering work by Christensen is that over MgAl203 support gold is much more selective to acetic acid than palladium and platinum in the aerobic oxidation of ethanol in water in a batch reactor. Figure 32 shows that selectivity to acetic acid exceeds 80% [99]. In contrast, Au/Si02 catalysts prepared by deposition reduction... 

Example 5.3.1.4. Selectivity versus heat transfer in batch reactors... 

The desired product is P, while S is an unwanted by-product. The reaction is carried out in a solution for which the physical properties are independent of temperature and composition. Both reactions are of first-order kinetics with the parameters given in Table 5.3-2 the specific heat of the reaction mixture, c, is 4 kJ kg K , and the density, p, is 1000 kg m . The initial concentration of /I is cao = 1 mol litre and the initial temperature is To = 295 K. The coolant temperature is 345 K for the first period of 1 h, and then it is decreased to 295 K for the subsequent period of 0.5 h. Figs. 5.3-13 and 5.3-14 show temperature and conversion curves for the 63 and 6,300 litres batch reactors, which are typical sizes of pilot and full-scale plants. The overall heat-transfer coefficient was assumed to be 500 W m K. The two reactors behaved very different. The yield of P in a large-scale reactor is significantly lower than that in a pilot scale 1.2 mol % and 38.5 mol %, respectively. Because conversions were commensurate in both reactors, the selectivity of the process in the large reactor was also much lower. 

In order to illustrate how the mode of operation can positively modify selectivity for a large reactor of poor heat-transfer characteristics, simulations of the reactions specified in Example 5.3.1.4 carried out in a semibatch reactor were performed. The reaction data and process conditions are essentially the same as those for the batch reactor, except that the initial concentration of A was decreased to cao = 0.46 mol litre, and the remaining amount of A is dosed (1) either for the whole reaction time of 1.5 h with a rate of 0.1 mol m s", or (2) starting after 0.5 h with a rate of 0.15 mol m " s". It is assumed that the volume of the reaction mixture and its physical properties do not change during dosing. The results of these simulations are shown in Fig. 5.3-15. The results of calculation for reactors of both types are summarized in Table 5.3-3. 

It is clear from the presented data that the yield and selectivity in a large semibatch reactor can be improved compared to those in a small batch reactor that has much better heat-transfer capability. This has been achieved by decreasing the rate of heat evolution, which has been obtained by lowering the instantaneous concentration of reactant A. The results also indicate that the dosing policy can have a very significant influence on reactor performance. 

If the process is carried out in a stirred batch reactor (SBR) or in a plug-flow reactor (PFR) the final product will always be the mixture of both products, i.e. the selectivity will be less than one. Contrary to this, the selectivity in a continuous stirred-tank reactor (CSTR) can approach one. A selectivity equal to one, however, can only be achieved in an infinite time. In order to reach a high selectivity the mean residence time must be very long, and, consequently, the productivity of the reactor will be very low. A compromise must be made between selectivity and productivity. This is always a choice based upon economics. 

Parallel reactions, oai = om2, a i = am = 0, Ei > E2. The. selectivity to the desired product increases with temperature. The highest allowable temperature and the highest reactant concentrations should be applied. A batch reactor, a tubular reactor, or a cascade of CSTRs is the best choice. 

A complex reaction is run in a semi-batch reactor with the purpose of improving the selectivity for the desired product, P. The kinetics are sequential with respect to components A, P and Q but parallel with respect to B. The relative orders of the reactions for the reactions determine the feeding policy. 

Drawing heavily from prior experience in hydrogenation of nitriles (7-10) and of ADN to ACN and/or HMD (11), in particular, we decided to restrict the scope of this investigation to Raney Ni 2400 and Raney Co 2724 catalysts. The hydrogenation reactions were initially carried out in a semi-batch reactor, followed by continuous stirred tank reactor to study the activity, selectivity, and life of the catalyst. 

We evaluated a number of potential catalysts and conditions using xylitol as a model compound in a batch reactor. A catalyst was selected from this initial screening and examined in a continuous trickle-bed reactor to develop operating conditions. Finally, as resources allowed, the catalyst was evaluated in a trickle bed reactor to gain a concept of potential catalyst lifetime. 

Figure 2 Conversion versus EG+PG+Glycerol Wt% Selectivity at 200°C, 300cc Batch Reactor, 8,300kPa H2.

Selected conditions and results are shown in Table 2 that are representative of the catalyst performance. Continuous testing of the Ni/Re catalyst compared favorably with the baseline data generated for this catalyst in the batch reactor screening. At 200°C, the overall activity of the catalyst appeared slightly higher in the continuous reactor, achieving 94% conversion at a weight hourly space velocity of 2.5hr 1 (g xylitol/g catalyst/h) and 200°C compared to 88% conversion at an equivalent exposure in the batch reactor of 2.1 hr"1 (g xylitol/g catalyst/h) achieved at the 4 hour sample at 200°C. 

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