DEPARTMENT OF CHEMICAL ENGINEERING 8. Simplify the model.

Arrange the equations so that the dependent variables (outputs) appear on

College of Engineering and Agro-Industrial Technology the left side and the independent variables (inputs) appear on the right side (convenient for
computer simulation and subsequent analysis).
University of the Philippines Los Baos 1 9 8 5
9. Classify inputs as disturbance variables or as manipulated variables.
College, Laguna 4031 Philippines Telefax No. (049) 536-2315
Degrees of Freedom (DOF) Analysis
ChE 170 (Instrumentation and Process Dynamics and Control) 1. List all quantities in the model that are known constants (or parameters that can be specified)
on the basis of equipment dimensions, known physical properties, etc.
Development of a Mathematical Model 2. Determine the number of equations (NE) and the number of process variables (NV).
3. Calculate the number of degrees of freedom, NF = NV - NE.
Model mathematical representation of the physical and chemical phenomena taking place in a 4. Identify the NE output variables that will be obtained by solving the process model.
process 5. Identify the NF input variables that must be specified as either disturbance variables or
manipulated variables, in order to utilize the NF degrees of freedom.
Importance of Mathematical Models To have a unique solution, no. of unknowns = no. of independent equations
1. improve understanding of the process NF = NV NE = 0 where NV no. of variables
2. train plant operating personnel NE no. of independent equations
3. develop a control strategy for a new process Cases:
4. optimize operating conditions 1. NF = 0 : exactly determined/exactly specified
2. NF > 0 : underdetermined/underspecified (infinite solutions)
Classification of models based on how they are obtained 3. NF < 0 : overdetermined/overspecified (no solution)
1. theoretical model developed using the principles of chemistry and physics
advantages disadvantages Example: Stirred tank blending process
expensive
provide physical insight into process
time-consuming
behavior
some parameters are not readily
applicable over wide ranges of conditions
available
2. empirical model obtained by fitting experimental data and are easier to develop than
theoretical models but typically do not extrapolate well
3. semi-empirical models combination of theoretical and empirical models, with numerical values
of one or more than in a theoretical model calculated from experimental data
Advantages:
incorporates theoretical knowledge
can be extrapolated over a wider range of operating conditions than empirical models
requires less development effort than theoretical models

General Modeling Principles

Model equations are at best an approximation to the real process.
Adage: All models are wrong, but some are useful.
Modeling inherently involves a compromise between model accuracy and complexity on one
hand, and the cost and effort required to develop the model, on the other hand.
Process modeling is both an art and a science.

Procedure in developing dynamic models

1. State the modeling objectives and the end use of the model. They determine the required levels
of model detail and model accuracy.
2. Draw a schematic diagram of the process and label all process variables.
3. List all of the assumptions involved in developing the model. The model should be no more
complicated than necessary to meet the modeling objectives.
4. Determine whether independent variables other than time are required. If spatial variations are
important, partial differential equation model will result.
5. Write appropriate conservation equations (dynamic balances).
6. Introduce equilibrium relations and other algebraic equations (from thermodynamics, transport
phenomena, chemical reaction kinetics, etc.)
7. Perform a degrees of freedom analysis to ensure that the model equations can be solved.
Example: Stirred tank heating process
Example: Continuous Stirred-tank Reactor (CSTR) Example: Liquid Storage System

Assumptions:
Perfect mixing
= constant
Constant holdup
Thermal capacitances of the coolant
and the cooling coil are negligible
Enthalpy change due to mixing is
negligible
Shaft work and heat losses are
negligible
Q = UA(Tc T) where U and A are
constants