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3 MATHEMATICAL MODELLING PRINCIPLES 34 INTRODUCTION ‘The models addressed inthis chapter ate bused on fundamental theories or laws, such asthe conservations of mass, energy, and momentum. Of many approaches to undet- Standing physical systems, engineers tend to favor fundamental models for several reasons. One reason is the amazingly small number of principles that can be used to explain a wide range of physical systems; thus, fundamental principles simplify our view of nature. A second reason is the broad range of applicability of fundamen- {al models, which allow extrapolation (with caution) beyond regions of immediate ‘empirical experience; this enables engineers to evaluate potential changes in operat- ing conditions and equipment and to design new plants. Perhaps the most important eason for using fundamental models in process contol is the analytical expressions they provide relating key features of the physical system (flows, volumes, temper- ‘tures, and so forth) to its dynamic behavior. Since chemical engineers design the ‘ocess, these relationships can be used to design processes that are as easy 10 con- fol as possible, so that a problem created through poor process design need not be Partially solved through sophisticated control calculations. ‘The presentation in this chapter assumes that the reader has previously stud- fed the principles of modelling material and energy balances, with emphasis on Beady-state systems, Those unsure of the principles should refer to one of the many lory textbooks in the area (e.g. Felder and Rousseau, 1986; Himmelblau, 982). In this chapter, a step-by-step procedure for developing fundamental models ispresented a that emphasizes dynamic models used to analyze the transient behavior Drocesses and control systems. The procedure begins with a definition of the {nd proceeds through formulation, solution, results analysis, and validation 33 CHAPTER54 process pynaMics Analytical solutions will be restricted tothe simple integrating factor for this chapter and will be extended to Laplace transforms in the next chapter. Experience has shown that the beginning engineer is advised to follow this, procedure closely, because it provides a road map for the sequence of steps and a checklist of issues to be addressed at each step. Based on this strong recommenda- tion, the engineer who closely follows the procedure might expect a guarantee of reaching a satisfactory result. Unfortunately, no such guarantee can be given, be- cause a good model depends on the insight of the engineer as well as the procedure followed, In particular, several types of models of the same process might be used for different purposes; thus, the model formulation and solution should be matched with the problem goals. In this chapter, the modelling procedure is applied to several process examples, with each example having a goal that would be important in its ‘own right and leads to insights for the later discussions of control engineering. This approach will enable us to complete the modelling procedure, including the impor- tant step of results analysis, and leam a great deal of useful information about the relationships between design, operating conditions, and dynamic behavior. 3.2 A MODELLING PROCEDURE Modelling is a task that requires creativity and problem-solving skills. A general method is presented in Table 3.1 as an aid to learning and applying modelling skills, ‘but the engineer should feel free to adapt the procedure to the needs of particular problems. Itis worth noting thatthe steps could be divided into two categories: steps 1 to 3 (model development) and steps 4 to 6 (model solution or simulation), because several solution methods could be applied toa particular model. Al steps are grouped together here as an integrated modelling procedure, because this represents the ‘TABLE 34 Outline of fundamental modelling procedure 1, Deine goals ‘5. Analyze results ‘a Specific design decisions ‘8 Check results for correctness '. Numerical valves 1. Limiting and approximate answers . Functional relationships 2 Accuracy of numerical method 4. Requzed accuracy be, Imerpret results 2, Prepare information 1. Plot solution ‘Sketch process and identity system 2 Characteristic behavior like oscilla i. Kdemity variables of imrest, tions or extrema State ssumptions and data 3. Relate results fo data and assumptions 13, Formulate model 4 Evaluate seasivity ‘8. Conservation balances 5S. Answer “what if questions i. Constitutive equations 6, Validate model . Rationlize (combine equations and col- a, Select key values fo validation lect terms) i. Compare with experimental results 4. Check degrees of freedom . Compare with results frm more complex fe Dimensionless form model 4, Determine solution ‘a. Analytical . Numerical MATHEMATICAL MODELLING PRiNcrrLEs 5S ‘yernacular use ofthe term modeling and stresses the need for the model and solution technique to be selected in conjunction to satisfy the stated goal successfully. Also, while the procedure is presented in a linear manner from step 1 to step 6, the reality is thatthe engineer often has to iterate to solve the problem at hand. Only experience ccan teach us how to “look ahead” so that decisions at earlier steps are made in a man. ner that facilitate the execution of later steps. Each step in the procedure is discussed. inthis section and is demonstrated for a simple stirred-tank mixing process. © Define Goals Perhaps the most demanding aspect of modelling is judging the type of model needed to solve the engineering problem at hand. This judgment, summarized in the goal statement, is critical element of the modelling task. The goals should be spe sific concerning the type of information needed. A specific numerical value may be needed; for example, “At what time will the liquid in the tank overflow?" In addition to specific numerical values, the engineer would like to determine semi-quantitative information about the characteristics ofthe system's behavior, for example, “Will the level increase monotonically or will i oscillate?” Finally, the engineer would like to have further insight requiring functional relationships; for example, “How would the flow rate and tank volume influence the time that the overflow will occur?” Another important factor in seting modelling goals isthe accuracy of a model fad the effects of estimated inaccuracy on the results. This factor is perhaps not em- lisized sufficiently in engineering education—a situation that may lead tothe false sion that all models have great accuracy over large ranges. The modelling and is methods in this book consider accuracy by recognizing likely errors in as- ions and data atthe outset and tracing their effects through the modelling and EET snadsis steps. Its only through this earful analysis that we canbe assured igns will function properly in realistic situations. Example 3:1. Goat Te dynamic response of the mining tnkn igure 3.11 a sep change in the let conceaton sto be determined, slong with th a he ped a she of $pimse depend onthe volume and ow rte in ths exam, ale steno se fr utr poten ul 90% of th change out concen hao ured hereto, Specfi al othe example Stein ho nga hang the oul seam each thi composion fa FIGURE 31 ‘Continuous-flow ste tank.$6 Process pvNaMics Prepare Information ‘The first step is to identify the system, This is usually facilitated by sketching the process, identifying the key variables, and defining the boundaries of the system. for which the balances will be formulated. The system, or control volume, should be a volume within which the important properties do not vary with position. The assumption of a well-stirred vessel is often employed in this book because even though no such system exists in fact, many systems closely approximate this be- havior. The reader should not infer from the use of stirred-tank models in this book that more complex models are never required. Modelling of systems via partial dif- ferential equations is required for many processes in which product quality varies ‘with position; distributed models are required for many processes, such as paper and metals, Systems with no spatial variation in important variables are termed lumped- parameter systems, whereas systems with significant variation in one or more direc tions are termed distributed-parameter systems. In addition to system selection, all models require information to predict a sys- tem’s behavior. An important component of the information is the set of assumptions ‘on which the model will be based; these are selected after consideration of the phys- ical system and the accuracy required to satisfy the modelling goals. For example, the engineer usually is not concerned with the system behavior at the atomic level, and frequently not at the microscopic level. Often, but not always, the macroscopic behavior is sufficient to understand process dynamics and control. The assumptions used often involve a compromise between the goals of modelling, which may favor
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