24 Mei 2009

Chemical Reactor Design and Control

C hemical reactors are unquestionably the most vital parts of many chemical, biochemical, polymer, and petroleum processes because they transform raw materials into valuable chemicals. A vast variety of useful and essential products are generated via reactions that convert reactants into products. Much of modern society is based on the safe, economic, and consistent operation of chemical reactors.

In the petroleum industry, for example, a significant fraction of our transportation fuel (gasoline, diesel, and jet fuel) is produced within process units of a petroleum refinery that involve reactions. Reforming reactions are used to convert cyclical saturated naphthenes into aromatics, which have higher octane numbers. Light C4 hydrocarbons are alkylated to form high-octane C8 material for blending into gasoline. Heavy (longer-chain) hydrocarbons are converted by catalytic or thermal cracking into lighter (shorter-chain) components that can be used to produce all kinds of products. The unsaturated olefins that are used in many polymerization processes (ethylene and propylene) are generated in these reactors. The polluting sulfur components in many petroleum products are removed by reacting them with hydrogen.


The chemical and materials industries use reactors in almost all plants to convert basic raw materials into products. Many of the materials that are used for clothing, housing, automobiles, appliances, construction, electronics, and healthcare come from processes that utilize reactors. Reactors are important even in the food and beverage industries, where farm products are processed. The production of ammonia fertilizer to grow our food uses chemical reactors that consume hydrogen and nitrogen. The pesticides and herbicides we use on crop fields and orchards aid in the advances of modern agriculture. Some of the drugs that form the basis of modern medicine are produced by fermentation reactors. It should be clear in any reasonable analysis that our modern society, for better or worse, makes extensive use of chemical reactors.

Many types of reactions exist. This results in chemical reactors with a wide variety of configurations, operating conditions, and sizes. We encounter reactions that occur in solely the liquid or the vapor phase. Many reactions require catalysts (homogeneous if the catalyst is the same phase as the reactants or heterogeneous if the catalyst has a different phase). Catalysts and the thermodynamic properties of reactants and products can lead to multiphase reactors (some of which can involve vapor, multiple liquids, and solid phases). Reactions can be exothermic (producing heat) or endothermic (absorbing heat). An example of the first is the nitration of toluene to form TNT. A very important example of the second is steam–methane reforming to produce synthesis gas. Reactors can operate at low temperature (e.g., C4 sulfuric acid alkylation reactors run at 108C) and at high temperatures (hydrodealkylation of toluene reactors run at 6008C). Some reactors operate in a batch or fed-batch mode, others in a continuous mode, and still others in a periodic mode. Beer fermentation is conducted in batch reactors. Ammonia is produced in a continuous vapor-phase reactor with a solid “promoted” iron catalyst.

The three classical generic chemical reactors are the batch reactor, the continuous stirred-tank reactor (CSTR), and the plug flow tubular reactor (PFR). Each of these reactor types has its own unique characteristics, advantages, and disadvantages. As the name implies, the batch reactor is a vessel in which the reactants are initially charged and the reactions proceed with time. During parts of the batch cycle, the reactor contents can be heated or cooled to achieve some desired temperature–time trajectory. If some of the reactant is fed into the vessel during the batch cycle, it is called a “fed-batch reactor.” Emulsion polymerization is an important example. The reactions conducted in batch reactors are almost always liquid-phase and typically involve slow reactions that would require large residence times (large vessels) if operated continuously. Batch reactors are also used for small-volume products in which there is little economic incentive to go to continuous operation. In some systems batch reactors can provide final product properties that cannot be achieved in continuous reactors, such as molecular weight distribution or viscosity. Higher conversion can be achieved by increasing batch time. Perfect mixing of the liquid in the reactor is usually assumed, so the modeling of a batch reactor involves ordinary differential equations. The control of a batch reactor is a “servo” problem, in which the temperature and/or concentration profiles follow some desired trajectory with time.

The CSTR reactor is usually used for liquid-phase or multiphase reactions that have fairly high reaction rates. Reactant streams are continuously fed into the vessel, and product streams are withdrawn. Cooling or heating is achieved by a number of different mechanisms. The two most common involve the use of a jacket surrounding the vessel or an internal coil. If high conversion is required, a single CSTR must be quite large unless reaction rates are very fast. Therefore, several CSTRs in series are sometimes used to reduce total reactor volume for a given conversion. Perfect mixing of the liquid in the reactor is usually assumed, so the modeling of a CSTR involves ordinary differential equations. The control of a CSTR or a series of CSTRs is often a “regulator” problem, in which the temperature(s) and/or concentration(s) are held at the desired values in the face of disturbances. Of course, some continuous processes produce different grades of products at different times, so the transition from one mode of operation to another is a servo problem.



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