Computer modeling material balance problems

In Section II,C we have deliberately chosen a simple set of problem specifications for our steady-state pipeline network formulation. The specification of the pressure at one vertex and a consistent set of inputs and outputs (satisfying the overall material balance) to the network seems intuitively reasonable. However, such a choice may not correspond to the engineering requirements in many applications. For instance, in analyzing an existing network we may wish to determine certain input and output flow rates from a knowledge of pressure distribution in the network, or to compute the parameters in the network element models on the basis of flow and pressure measurements. Clearly, the specified and the unknown variables will be different in these cases. For any pipeline network how many variables must be specified And what constitutes an admissible set of specifications in... 

Process simulators contain the model of the process and thus contain the bulk of the constraints in an optimization problem. The equality constraints ( hard constraints ) include all the mathematical relations that constitute the material and energy balances, the rate equations, the phase relations, the controls, connecting variables, and methods of computing the physical properties used in any of the relations in the model. The inequality constraints ( soft constraints ) include material flow limits maximum heat exchanger areas pressure, temperature, and concentration upper and lower bounds environmental stipulations vessel hold-ups safety constraints and so on. A module is a model of an individual element in a flowsheet (e.g., a reactor) that can be coded, analyzed, debugged, and interpreted by itself. Examine Figure 15.3a and b. 

Depending on the nature of the class, the instructor may wish to spend more time with the basics, such as the mass balance concept, chemical equilibria, and simple transport scenarios more advanced material, such as transient well dynamics, superposition, temperature dependencies, activity coefficients, the thermodynamics of redox reactions, and Monod kinetics, may be omitted. Similarly, by excluding Chapter 4, an instructor can use the text for a course focused only on the water environment. In the case of a more advanced class, the instructor is encomaged to expand on the material suggested additions include more rigorous derivation of the transport equations, discussions of chemical reaction mechanisms, introduction of quantitative models for atmospheric chemical transformations, use of computer software for more complex chemical equilibrium problems and groundwater transport simulations, and inclusion of case studies. References are provided with each chapter to assist the more advanced student in seeking additional material. 

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