Process synthesis dynamic optimization

Dynamic simulation, process control, real-time optimization Process synthesis, flowsheet convergence, simultaneous modular vs. equation-oriented... 

Nishida, N., Liu, Y.A. and Ichikawa, A., "Studies in Chemical Process Design and Synthesis II. Optimal Synthesis of Dynamic Process Systems with Uncertainty," AiChE J. Vol. 22, No. 3, pp 539-550, May 1976. 

Template-directed synthesis has also been exploited for combinatorial purposes in which a reversible reaction and the use of thermodynamic templates have been used. Two different processes have been envisaged and validated, both of which consider the dynamic optimization of a receptor-ligand interaction where one of the partners is the template that drives the self-assembly of a reversible library of other partners from which the best binder for the template is selected (Fig. 8.53). If the receptor is a template, a library made using a reversible reaction is incubated with the receptor and... 

Formulating design as a dynamic optimization problem, we found that for the synthesis of MTBE, a tradeoff between control and economic performances exists. We solved this multiobjective optimization problem by incorporating appropriate time-invariant parameters e.g. column diameter, heat transfer areas and controllers parameters) in the frame of a dynamic optimization problem in the presence of deterministic disturbances. The design optimized sequentially with respect to dynamic behavior leads to a RD process with a total annualized cost higher than that obtained using simultaneous optimization of spatial and control structures. 

It should be observed that as in the case of linear back-off synthesis, a steady state optimization problem is solved to determine the topology of the process and the controller. A dynamic optimization problem is then solved to determine the optimal value of the continuous optimization variables. The algorithm iterates between the steady state mixed integer... 

As an indispensable source of fertilizer, the Haber process is one of the most important reactions in industrial chemistry. Nevertheless, even under optimal conditions the yield of the ammonia synthesis in industrial reactors is only about 13%. This Is because the Haber process does not go to completion the net rate of producing ammonia reaches zero when substantial amounts of N2 and H2 are still present. At balance, the concentrations no longer change even though some of each starting material is still present. This balance point represents dynamic chemical equilibrium. 

The hydrogenation of a-amino ketones was also a key step for the synthesis of three more pharma actives (Fig. 37.25). Roche [95] divulged a pilot process involving the hydrogenation/dynamic kinetic resolution of a cyclic a-amino ketone using an optimized MeO-biphep ligand. The Ru-catalyzed reaction was carried out on a 9-kg scale with excellent enantio- and diastereoselectivities, and very... 

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