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Program for North American Mobility In Higher Education


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Title: Program for North American Mobility In Higher Education

Program for North American Mobility In Higher
Module 9
Introduction to Steady State Simulation
Introducing Process integration for Environmental
Control in Engineering Curricula
Process integration for Environmental Control in
Engineering Curricula
Program for North American Mobility in Higher
Module 9
This module was created by
Amy Westgate
Host University
Richard Ezike
Project Summary
  • Objectives
  • Create web-based modules to assist universities
    to address the introduction to Process
    Integration into engineering curricula
  • Make these modules widely available in each of
    the participating countries
  • Participating institutions
  • Six universities in three countries (Canada,
    Mexico and the USA)
  • Two research institutes in different industry
    sectors petroleum (Mexico) and pulp and paper
  • Each of the six universities has sponsored 7
    exchange students during the period of the grant
    subsidised in part by each of the three
    countries governments

Structure of Module 9
  • What is the structure of this module?
  • All modules are divided into 3 tiers, each with a
    specific goal
  • Tier I Background Information
  • Tier II Case Study Applications
  • Tier III Open-Ended Design Problem
  • These tiers are intended to be completed in that
    particular order. In the first tier, students are
    quizzed at various points to measure their degree
    of understanding, before proceeding to the next
    two tiers.

Purpose of Module 9
  • What is the purpose of this module?
  • It is the intent of this module to cover the
    basic aspects of Steady State Simulation. It is
    identified as a pre-requisite for other modules
    related to the learning of Steady State
  • This module is intended for students familiar
    with basic mass and energy balances and may have
    had some training with thermodynamics and
    transport processes.

Tier IBackground Information
  • Statement of Intent
  • Review basic chemical engineering concepts
    employed in steady state simulation
  • Understand the purpose of steady-state simulation
  • Learn how to develop models of processes in
  • Discuss problem solving techniques

  • Steady State Process
  • We can use steady-state processes to determine
    the optimum operation conditions for a process
    that can be limited by safety, equipment
    performance, and product quality constraints.
  • Concentration does not change with respect to
  • time
  • Accumulation term in mass balance set to zero
  • Input Generation Output Consumption 0

  • Three types of processes
  • Batch
  • Semi-batch
  • A process where inputs and outputs flow
    continuously through duration of process.
  • A process where a set amount of input enters a
    process, where it is removed from the process at
    a later time.
  • Neither batch or continuous, may be combination
    of both.

In steady-state processes, we will be looking at
continuous processes.
  • Batch Example
  • Ammonia is produced from nitrogen and hydrogen.
    At time t t0, nitrogen and hydrogen are added
    to the reactor. No ammonia leaves the reactor
    between t t0 and t tf. At tf, nf moles of
    ammonia are released.

H2 N2
t to
t tf
  • Semibatch Example
  • Helium is pressurized in large tanks for storage.
    When the tank valve is open, the gas diffuses out
    due to the difference in pressure.

  • Continuous Example
  • Pump a methanol/water mixture into a distillation
    column and withdraw the more volatile component
    (methanol) from the top of the column and the
    less volatile component (water) from the bottom
    of the column.

Quiz 1
  • Classify the following processes as batch,
    continuous, or semibatch.
  • A balloon is filled with air at a steady rate of
    2 m3/min.
  • Pump a mixture of liquids into a distillation
    column at a constant rate and steadily withdraw
    product streams from the top and bottom.
  • Slowly blend several liquids in a tank from which
    nothing is being withdrawn.

  • Block Diagrams
  • When solving a problem, it is helpful to develop
    a block diagram, such as the one below, that
    defines what the process looks like as well as to
    indicate all information about the process such
    as flow rates and species compositions.

Carbon (C) Air (79 N2, 21 O2)
Degree Of Freedom Analysis
  • Analysis done to determine if there is enough
    information to solve a given problem.
  • Draw and completely label a flowchart
  • Count the unknown variables, then the independent
    equations relating them,
  • Subtract the number of equations from the number
    of variables. This gives ndf, or the number of
    degrees of freedom in the process.

Degree of Freedom Analysis
  • If ndf 0 there are n independent equations in n
    unknowns and the problem can be solved
  • If ndf gt0, there are more unknowns than
    independent equations relating them, and at least
    ndf additional variable values must be specified.
  • If ndf lt0, there are more independent equations
    than unknowns. The flowchart is incompletely
    labeled or inconsistent and redundant relations

Mass (Material) Balance A mass (material)
balance is an essential calculation that accounts
for the mass that enters and leaves a particular
Accumulation of mass Mass flow rate in Mass
flow rate out
Mass (Material) Balance (continued) In the case
of a steady-state process we are able to set the
accumulation term to zero since it is a time
dependent term. Since steady-state does not
depend on time as it is constant, we are able to
eliminate this term Mass Flow Rate In Mass
Flow Rate Out Material Balance Procedure
  • First Law of Thermodynamics (Energy Balance) for
    a Steady State Open System

The net rate at which energy is transferred to
system as heat and/or shaft work equals the
difference between rates at which (enthalpy
kinetic energy potential energy) is transported
into and out of the system
Quiz 2
  1. Explain the Degree of Freedom analysis.
  2. What term goes to zero in a steady-state process?
  3. Is a continuous process closed or open? How about
    a batch process?

  • Heat Transfer
  • Also classified as energy transfer
  • Three types of heat transfer modes
  • Conduction
  • Convection
  • Radiation

  • Conduction
  • Accomplished in two ways
  • Molecular interaction
  • Free electrons
  • Conduction equation called Fouriers Law
  • qy heat transfer area in y direction (W)
  • A area normal to direction flow (m2)
  • dT/dy temperature gradient (oC/m)
  • k thermal conductivity (W/moC)

  • Convection
  • Accomplished in two ways
  • Natural convection
  • Forced convection
  • Convection equation called Newtons Law
  • qy rate of convective heat transfer (W)
  • A area normal to direction flow (m2)
  • ?T temperature gradient (oC)
  • h convective heat transfer coefficient (W/m2 oC)

Radiation (Thermal)
  • Exhibits same optical properties as optical light
  • May be absorbed, reflected, or transmitted

Total radiation for unit area of opaque body of
area A1, emissivity e1, and absolute temperature
T1, and a universal constant s
Radiation Between Surfaces
  • Simplest type occurs where each surface can see
    only the other and where both surfaces are black
  • Energy emitted by first plane is sT14 the
    second plane emits sT24
  • if T1 gt T2, then net loss energy per unit area
    by first plane and net gain by second are sT14-
    sT24, or s(T14-T24)

Cold surface
Note this is only in ideal cases no surface is
exactly black, and emissivities must be considered
Hot surface
  • Mass Transfer
  • The transport of one constituent from a region of
    higher concentration to a region of lower
  • Molecular mass transfer
  • Random molecular motion in quiescent fluid
  • Convective mass transfer
  • From a surface into a moving fluid or vice-versa

  • Flux
  • - (overall density)(diffusion
    coefficient)(concentration gradient)
  • Fick rate equation (restricted to
    isothermal/isobaric systems)
  • de Groot equation is more general

Units JA mol A/m2s CA- mol A/m3 DAB- m2/s
  • Molar flux of species A in binary system (A B)

c concentration DAB diffusivity of species A
in B change of molar species in y with
respect to a specified direction NA, NB molar
fluxes of components
Quiz 3
  1. What are two ways in which conduction occurs?
  2. Define natural and forced convection.
  3. What is the restriction to the use of Ficks Law?

  • Modeling
  • What is Modeling?
  • Steady-State vs. Dynamic Modeling
  • Empirical vs. Mechanistic Modeling
  • Derivation of a Steady State Model
  • Modeling and Process Design Implications

What is a Model?
  • A model is an depiction of a process operation
  • used to design, change, improve or control a
  • Uses of Model
  • Equipment Design, Size and Selection
  • Comparison of Different Process Configurations
  • Evaluation of Process Performance Against
  • Optimization

  • Models vary by
  • Phenomena represented
  • Energy, phase changes
  • Level of details
  • Assumptions (perfect mixing, heat loss)
  • Inputs required
  • Functions performed (satisfaction of constraints,
  • Outputs generated

  • Requirements of a good model
  • Accuracy the model should be close to the target
  • Validity model must have a solid foundation and
    ability to be easily justified.
  • Complexity the level of the model should be
    considered and easy to understand.
  • Computational efficiency models should be
    calculable using reasonable amounts of time and
    computing resources.

Time-based Modeling
Steady State
Level of Knowledge-based Modeling
Steady State

Balance at equilibrium condition Time dependent results
Equilibrium results for all unit operations Equilibrium conditions not assumed for all units
Equipment sizes not needed Equipment sizes needed
Amount of information required small to medium Amount of information required medium to large
Steady State Example
Continuous Stirred Tank Reactor (CSTR)
Concentration profile at one point in reactor
does not change with time
Dynamic Example
Batch Reactor
Concentration profile at one point in reactor
does change with time
  • Empirical Modeling
  • Definition
  • a model that is based on data whether it has been
    collected from a process or some other source.
  • Key Notes
  • Derived from observation
  • Often simple
  • May or may not have theoretical foundation
  • Valid only within range of observation

  • Procedure Empirical Modeling
  • Obtain data from process you wish to model.
  • Temperature, pressure, flow, etc
  • Perform appropriate statistical analysis and
    develop accurate correlations from data.
  • Develop mathematical equations to accurately
    represent the data and the correlations found in
    step 2, and determine which equations are useful
    in the development of the model.
  • Check for correctness in your analysis and
    equations, and determine if the model is
  • Statistical Analysis with Excel

  • Example
  • The figure below depicts a heat exchanger. Heat
    exchangers function as a medium to transfer
    energy (in the form of heat) from a hotter stream
    to a cooler stream. Lets say we have a hot
    stream of fluid coming into the exchanger at Th1,
    leaves at Th2 and a cool stream coming in at Tc1
    and leaving at Tc2. If the physical properties of
    the fluids are the same, then the temperature
    difference describes the amount of energy

  • We do not know Tc2, but we can take various
    measurements of Th1, Th2 and Tc1 to find Tc2 .
    Using certain statistical procedures, it can be
    determined that Tc2 is related to the other three
    temperatures by this equation
  • Tc2 Tc1 a(Th2-Th1)
  • We have empirically determined a value for a, but
    only for the specific fluids and conditions
  • If we knew, say, the mass flow rates and heat
    capacities of the two fluids, we can use them to
    determine the mechanistic model that relates the
    four temperatures for any combination of two

  • Mechanistic Modeling
  • Definition
  • a model that is derived from fundamental physical
    laws or basic principles
  • Key Notes
  • Model construction time-consuming and costly
  • Most reliable, but often not enough data available

  • Procedure Mechanistic Modeling
  • Know physical and chemical properties of the
  • Determine the appropriate process model using
    mass and/or heat balance.
  • Determine appropriate model run conditions and
  • Complete runs and use output data to compare
    against the predicted model results
  • Develop an acceptable conclusion for the model.
    Should the conclusion not be acceptable,
    re-examine the assumptions, process and the
    physical and chemical properties made in Step 1.
    Make appropriate modifications and repeat Steps

  • Let us go back to the heat exchanger. Now we know
    that the empiricism a that we determined earlier
    is related to the mass flow and heat capacity of
    the two fluids. This knowledge allows us to model
    a heat exchanger for any two fluids. The model is
    determined to be

Steady state model derivation
  • 1. Define Goals.
  • a) Specific design decisions.
  • b) Numerical values.
  • c) Functional relationships.
  • d) Required accuracy.

2. Prepare information. a) Sketch
process. b) Identify variables of
interest. c) State assumptions and data.
Steady state model derivation
3. Formulate model a) Conservation
balances. b) Constitutive equations. c) Rationaliz
e (combine equations and collect terms). d) Check
degrees of freedom.
  • 4. Determine solution
  • a) Analytical
  • b) Numerical

Steady state model derivation
  • 5. Analyze results
  • a) Check results for correctness
  • Accuracy of numerical/analytical methods
  • Plot solution
  • Relate results to data and assumptions
  • Answer what if questions
  • Compare with experimental results

Process insights resulting from modeling
  1. Identification If we know the input (I) and
    output (O) parameters, we can determine the
    structure (R) of the model.

Process insights resulting from modeling
2. Simulation If we know the structure of the
model, we can simulate what the output of the
process will be for a given input.
Process insights resulting from modeling
3. Control/Optimization If we know the desired
output (O) and the structure (R) of the model, we
can determine what the input (I) should be to
optimize the process.
Quiz 4
  1. What are some uses of modeling?
  2. Name and explain three requirements of a good
  3. What distinguishes a steady-state model and a
    dynamic model?
  4. Review the procedures for developing a
    mechanistic and empirical model. What are some
    differences between the two procedures?
  5. Discuss the control/optimization insight of

  • Solving Problems
  • Analytical Methods
  • Process Design
  • Methods
  • Spreadsheets
  • Simulation Software
  • Solution Determination

  • Curve fitting
  • Try to find the best fit of a curve through the
    data such that the distribution of the data
    points on either side of the line is equal
  • Possible errors
  • Measurement error
  • Precision error
  • Systematic error
  • Calculation error
  • Error propagation
  • Curve Fitting Example

  • Least Squares
  • The best curve through the data is the one that
    minimizes the sum of the squares of the residuals
    (differences between predicted and experimental
  • Least Squares Method

Process Design
Process design
  • The design of chemical products begins with the
    identification and creation of potential
    opportunities to satisfy societal needs and to
    generate profit. The scope of chemical product is
    extremely broad. They can be roughly classified
  • Basic chemical products.
  • Industrial products.
  • Consumer products.

Process design
Motivation for Process Design
  1. Desires of customers for chemicals with improved
    properties for many applications.
  2. Discovery of a new inexpensive source of a raw
    material with comparable physical and chemical
    properties to the old source.
  3. New markets are discovered.

Steps in a Process Design
  • Process Design Questions to Answer
  • Is the chemical structure known?
  • Is a process required to produce the chemicals?
  • Is the gross profit favorable?
  • Is the process still promising after further
  • Is the process and/or product feasible?

Steps in a Process Design
  1. Process Design Steps
  • Develop objective(s).
  • Find inputs that have the desired properties and
  • Create process.
  • Develop a base case for which to conduct initial
    testing on process.
  • (does it stay stable at steady state?)
  • Improve/maintain process

Stability of the process
  • When a process is disturbed from an initial
    steady state, it will generally respond in one of
    3 ways.
  • Proceed to a steady state and remain there.

Stability of the process
  1. Fail to attain to a steady state condition
    because its output grows indefinitely. The system
    is unstable.

Stability of the process
  1. Fail to attain a steady state condition because
    the output of the process oscillates indefinitely
    with a constant amplitude. The system is at the
    limit of stability.

Quiz 5
  1. What are some errors that may arise when
    attempting to fit a curve?
  2. What are the three products developed from
    process design? Provide an example of each
  3. What happens to an unstable system over time?

  • Spreadsheet
  • A computer program (Microsoft Excel) used to
    store and calculate information in a structured
    array of data cells. By defining relationships
    between information in cells, a user can see the
    effects of certain data changes on other data in
    other parts of the spreadsheet.
  • Provides an easy, efficient method for solving
    sets of equations and other forms of data that
    are not too numerous but complex enough that it
    would be difficult to solve by hand.

  • Columns are designated by letters, rows by numbers

  • Under Tools Menu
  • want to know input value formula needs to
    determine result
  • Excel varies value in cell specified until
    dependent formula returns value you want

  • Spreadsheet Drawbacks
  • Entering the equations yourself could lead to
    false answers as you can make a mistake. Mistakes
    can become unmanageable very quickly causing
    debugging to be difficult.
  • Excel can handle large amounts of data but there
    is a point where Excel may have difficulty in
    solving a system of equations.

  • Simulation
  • Predicts behavior of a process by solving
    mathematical relationships that describe the
    behavior of the process components.
  • Involves performance of experiments with a
    process model

  • Simulation Software Why use it?
  • economical way for engineers to construct or
    modify a process before doing a test in reality.
  • Can determine optimum operating conditions
  • Quantify equipment, raw materials required with
  • Can discover process problems
  • Make accurate changes in process without
    sacrificing money or safety
  • Determine composition of streams and simplify
    complex unit operations

  • Simulation Software What does it allow?
  • Manipulation and comparison of previous data as
    well as for research
  • Manipulation of a process until a desired target
    is reached
  • Allows complex processes to be easily calculated
  • Can easily change conditions and see how the
    output is changed and the equipment behaves

  • Simulation Issues and Considerations
  • Built-in assumptions in programs must be taken
    into account and validated
  • Can make mistakes in calculations do mass
    balances over process as a check over
  • Number of variables involved
  • Physical properties of streams
  • Size of process being simulated

Process Flowsheet (Block Diagram)
  • A process flowsheet is a collection of icons to
    represent process units and arrows to represent
    the flow of materials to and from the units.

Fresh feed
Calculation Order
  • In most process simulators, the units are
    computed one at a time. The calculation order is
    automatically computed to be consistent with the
    flow of information in the simulation flowsheet,
    where the information flow depends on the
    specifications for the chemical process.

Recycle Flows
  • A simulation flowsheet usually contains
    information recycle loops. That is, there are
    variables that are not known which prevent the
    equations in the process model from being solved
    completely. These variables are recycled back to
    the initial calculation point.

For these processes, a solution technique is
needed to solve the equations for all the units
in the recycle loop.
  • Iteration
  • Initial guess is taken at the input and a
    solution is determined for the system
  • Second, a more educated guess is made and the
    system is solved based on initial solution
  • Iterations continue until solution converges to
    one value

  • Is the process to compare the guessed value with
    the computed value until a value is found within
    the tolerance range.

Guessed value
Guessed value calculated value lt Tolerance
When the criterion is achieved, the solution is
found and no more iteration needs to be done.
Process synthesis methodologies
  • Total account of an explicit process is the most
    obvious. Here we generate and evaluate every
    alternative design. We locate the better
    alternative by directly comparing the
  • Evolution of design follow from the generation
    of a good base case design. Designers can then
    make many small changes, a few at a time, to
    improve the design incrementally.
  • Structured Decision Making following a plan that
    contains all the alternatives.
  • Design to target we design and specify unit
    operations to operate according to the desired
    target operation of the process.

  • Solution Determination
  • Sequential Solution
  • Work backwards from one point in a sequential
    order solving one equation at a time
  • Iterative Method
  • Simultaneous Solution
  • Have to solve multiple equations with multiple
    variables all at same time
  • Generally requires simulation software

Some advice when running a simulation
  • 1. Talk with trained professionals (chemists,
    vendors, other engineers in the field).
  • 2. Beware of using estimated parameters and
    interaction parameters when screening process
  • 3. Go see the plant. Plant personnel are usually
    helpful. Their insight and your knowledge of
    modeling can help solve problems efficiently.

With a simulator, one day of process operation
can be simulated in just seconds, and make as
many changes as you want.
Change in Reactor Properties
Change composition in feed
Change in Column Properties
Commercial Simulation Software Packages
  • There are many of them, some of them are
  • Excel (spreadsheet) Excel Tutorial
  • Matlab MATLAB homepage
  • Fortran and C (programming languages)
  • Aspen AspenTech
  • SuperPro Designer SuperPro Designer
  • IDEAS (Simons)

Final Quiz
  1. What is a drawback of using spreadsheets?
  2. What are two functions that simulation allows
  3. How are units calculated within a simulation
  4. Explain how iteration works and why you should
    use it.
  5. You are an engineer who has been tabbed to design
    a new chemical process for a company. What are
    some steps you can take to help you in your

Tier IIWorked Examples
  • Statement of Intent
  • Review basic chemical engineering concepts
    employed in steady state simulation through
  • Understand how to develop a steady-state
    simulation problem in Excel

First Example A Single Effect Evaporator (to be
done in Excel)
Function is to concentrate solution
  • What affects evaporation?
  • Rate at which heat is transferred to the liquid
  • Quantity of heat required to evaporate mass of
  • Maximum allowable temperature of liquid
  • Pressure which evaporation takes place

Single Effect Vertical Evaporator
  • Three functional sections
  • Heat exchanger
  • Evaporation section
  • liquid boils and evaporates
  • Separator
  • vapor leaves liquid and passes off to other

Three sections contained in a vertical cylinder
  • In the heat exchanger section (calandria), steam
    condenses in the outer jacket
  • Liquid being evaporated boils on inside of the
    tubes and in the space above the upper tube stack
  • As evaporation proceeds, the remaining liquors
    become more concentrated

Diagram of Single Effect Evaporator
Vapor V
Tv, yv, Hv, ?V
Tf, xf, hf, ?f
U J/m2 s oC
Feed F
P kPa
Ts, Hs, ?s
A ? m2
Condensate S
Ts, hs, ?s
Steam S
Concentrated liquid L
TL, xL, hL, ?L
Material and Heat Balances
q UA?T ?T Ts TL Heat given off by
vapor ? Hs hs ?FhF ?sHs ?LhL ?VHV
?shs ?FhF ?s? ?LhL ?VHV q ?s(Hs-hs)
?s? ?s? ideal heat transferred in evaporator
?F ?L ?V ?FxF ?LxL ?VyV
Finding the Latent Heat of Evaporation of
Solution and the Enthalpies
  • Using the temperature of the boiling solution TL,
    the latent heat of evaporation can be found
  • The heat capacities of the liquid feed (CpF) and
    product (CpL) are used to calculate the
    enthalpies of the solution.

Property Effects on the Evaporator
  • Feed Temperature
  • Large effect
  • Preheating can reduce heat transfer area
  • Pressure
  • Reduction
  • Reduction in boiling point of solution
  • Increased temperature gradient
  • Lower heating surface area requirements
  • Effect of Steam Pressure
  • Increased temperature gradient when higher
    pressure steam is used.

Boiling-Point Rise of Solutions
  • Increase in boiling point over that of water is
    known as the boiling point elevation (BPE) of
  • BPE is found using Duhrings Rule
  • Boiling point of a given solution is a linear
    function of the boiling point of pure water at
    the same pressure

Duhring lines (sodium chloride)
Problem Statement (McCabe 16.1 modified)
A single-effect evaporator is used to concentrate
9070 kg/h of a 5 solution of sodium chloride to
20 solids. The gauge pressure of the steam is
1.37 atm the absolute pressure in the vapor
space is 100 mm Hg. The overall heat transfer
coefficient is estimated to be 1400 W/m2 oC. The
feed temperature is 0oC. Calculate the amount of
steam consumed, the economy, and required heating
First Example Excel Spreadsheet
1. Draw Diagram and Label Streams
Vapor V
9070 kg/h feed, 0oC, 5 solids, hF
Tv, 0 solids, Hv, ?v
U 1400 W/m2 oC
Feed F
P 100 mm Hg
Ts, Hs, 1.37 atm gauge, ?s
Condensate S
Ts, hs, ?s
Steam S
TL, 20 solids, hL, ?L
Liquor L
2. Perform Mass Balances
  • ?F ?L ?V
  • 9070 kg/h ?L kg/h ?V kg/h
  • ?FxF ?LxL ?VyV (note that yv is zero
    because only vapor is present, no solids)
  • 0.05 9070 kg/h 0.2 ?L kg/h 0
  • Can solve for ?v and ?L
  • ?V 6802.5 kg/h, ?L 2267.5 kg/h

3. Perform Heat Balances to find the Economy
The economy is defined as the mass of water
evaporated per mass of steam supplied.
?FhF ?SHS ?LhL ?VHV ?ShS ?FhF ?S?
?LhL ?VHV q ?S(HS- hS) ?S?
Needed Data
  • Boiling point of water at 100 mm Hg 51oC (from
    steam tables)
  • Boiling point of solution 88oC (from Duhring
  • http//
  • Boiling point elevation 88 51 37oC
  • Enthalpy of vapor leaving evaporator (enthalpy
    of superheated vapor at 88oC and 100 mm Hg .133
    bar) 2664 kJ/kg (FR, p.650) also called the
    latent heat of evaporation
  • Heat of vaporization of steam (Hs-hs ? ) at
    1.37 atm gauge 20 lbf/in2 939 Btu/lb 2182
    kJ/kg (McCabe, App.7, p.1073)

Finding the enthalpy of the feed
yNaCl0.05 ywater0.95 Cp,water4.18 kJ/kgoC
Cp,NaCl0.85 kJ/kgoC
  • Find the heat capacity of the liquid feed
  • feed is 5 sodium chloride, 95 water

(Cp)F .050.85 .954.18 4.01 kJ/kgoC
2. Calculate Enthalpy (neglecting heats of
hF 4.01 kJ/kgoC (0 - 0 oC) 0 kJ/kg
Finding the enthalpy of the liquor
yNaCl0.20 ywater0.80 Cp,water4.18
kJ/kgoC Cp,NaCl0.85 kJ/kgoC
  • Find the heat capacity of the liquor
  • feed is 20 sodium chloride, 80 water

Cp,L .200.85 .804.18 3.51 kJ/kgoC
2. Calculate Enthalpy (neglecting heats of
hL 3.51 kJ/kgoC (88-0 oC) 309 kJ/kg
Heat Balances
?LhL ?VHV - ?FhF ?SHS - ?ShS ?S(HS- hS)
?S? ? (HS-hS) 2182 kJ/kg (2267.5 kg/h
309.23 kJ/kg) (6802.5 kg/h 2664 kJ/kg) (0)
?S (HS-hS) q ?S (2182 kJ/kg)
?s8626.5 kg/h
q 8626.5 kg/h2182 kJ/kg 1.88x107 kJ/h
5228621 W 5.23 MW
Find the Economy
4. Calculate Required Heating Surface
Condensing temperature of steam (1.37 atm gauge
q UA?T A q/U?T
Click on the Hyperlink and click on the Final
Solution tab to see the final answer for the
First Example Final Solution
Second Example Simulation of Cyclic Process
(Felder and Rousseau, Example 10.2-3, pp.
516-519) (to be done in Excel)
Problem Statement
The gas-phase dehydrogenation of isobutane (A)
to isobutene (B) is carried out in a continuous
reactor. A stream of pure isobutane (the fresh
feed to the process) is mixed adiabatically with
a recycle stream containing 90 mole isobutane
and the balance isobutene, and the combined
stream goes to a catalytic reactor. The effluent
from this process goes through a multistage
separation process one product stream containing
all the hydrogen (C) and 10 of the isobutane
leaving the reactor as well as some isobutene is
sent to another part of the plant for additional
processing, and the other product stream is the
recycle to the reactor. The conversion of
isobutane in the reactor is 35. Assume a fresh
feed of 100 mol isobutane. Simulate the process
using a spreadsheet to find the desired process
Diagram of Process
Second Example Cyclic Process
  • A will denote isobutane, B denotes isobutene, C
    denotes hydrogen
  • All streams are gases, is the required rate
    of heat transfer to the reactor and is the
    net rate of heat transfer to the separation
  • Specific enthalpies are for the gaseous species
    at the stream temperatures relative to 25oC
  • - Heats of formation are taken from Table B.1,
    and heat capacity formulas are taken from Table
    B.2 in Felder and Rousseau

1. Perform Degree of Freedom Analysis
Review Degrees of Freedom
  1. Draw and completely label a flowchart
  2. Count the unknown variables, then the independent
    equations relating them,
  3. Subtract the number of equations from the number
    of variables. This gives ndf, or the number of
    degrees of freedom in the process.

Degree of Freedom Analysis
  • If ndf 0 there are n independent equations in n
    unknowns and the problem can be solved
  • If ndf gt0, there are more unknowns than
    independent equations relating them, and at least
    ndf additional variable values must be specified.
  • If ndf lt0, there are more independent equations
    than unknowns. The flowchart is incompletely
    labeled or inconsistent and redundant relations

Degree of Freedom Analysis Mixing Point
4 unknowns (?A1, ?B1, ?4,T1) - 3 balances (2
material balances, 1 energy balance) 1 local
degree of freedom
Degree of Freedom Analysis Reactor
  • 7 unknowns (?A1, ?B1, ?A2, ?B2, ?C2, T1, )
  • 4 balances (3 molecular species balances, 1
    energy balance)
  • 1 additional relation (35 conversion of
  • 1 independent chemical reaction
  • 3 local degrees of freedom

Degree of Freedom Analysis Separator
  • 8 unknowns (?A2, ?B2, ?C2, ?A3, ?B3, ?C3, ?4,
  • 4 balances (3 material balances, 1 energy
  • - 1 additional relation (isobutane split)
  • 3 local degrees of freedom

Net Degree of Freedom Analysis Overall Process
7 local degrees of freedoms (133) - 7 ties
(?A1, ?B1, ?A2, ?B2, ?C2, ?4, and T1 were counted
twice) 0 net degrees of freedom
The problem can be solved for all labeled
2. Equation Based Solution Process
Tearing the Cycle
  • Cant solve system in a unit-to-unit manner
    without trial and error
  • tear between two units
  • Purpose is to have the least number of variables
    that have to be determined by trial and error
  • We tear between separation process and mixing
  • - Only have to determine ?4 by trial and error.

Solution Process
  • Assume value of recycle flow rate (?4A 100
  • Assume mixing point outlet temperature (T1
  • Vary ?4A until calculated recycle flow rate
    (?4C) equals assumed value in ?4A
  • - Will be done by driving (?4A - ?4C) using
  • Mixing point temperature (T1) will be varied to
    determine the value that drives ??mix to zero
    (remember, the mixer is adiabatic)

Known Values
XA 0.35 (fractional conversion of A) 100 mol/s
(basis of calculation) Feed temperature
20oC Reactor Effluent Temperature 90oC Product
Stream Temperature 30oC Guess for recycle
stream flow rate (?A4) 100 mol/s Mole fraction
of A in recycle stream 0.9 Mole fraction of B
in recycle stream 0.1 Temperature of recycle
stream 85oC Initial guess for combined stream
temperature 50oC
Mass Balances (based on initial guesses)
?A1 100 mol/s feed (100 mol/s recycle 0.9
mol fraction 190 mol/s) ?B1 100 mol/s recycle
0.1 mol fraction 10 mol/s ?A2 ?A1 (1-XA)
123.5 mol/s ?B2 ?B1 (?A1XA) 76.5 mol/s ?C2
?A1 XA 66.5 mol/s ?A3 0.01 ?A2 1.24
mol/s ?C4 (?A2- ?A3)/0.9 mol fraction 135.85
mol/s ?B3 ?B2 (0.1 mol fraction ?C4 ) 62.9
mol/s ?C3 ?C2 66.5 mol/s
Calculation of Specific Enthalpies (Tables B.1
and B.2, Felder and Rousseau)
- (heats of formation) are located in Table B.1
of FR
A (isobutane g) -134.5 kJ/mol B (isobutene
g) 1.17 kJ/mol C (hydrogen g) 0 kJ/mol
Calculation of Specific Enthalpies (Tables B.1
and B.2, Felder and Rousseau)
- heat capacity of component i (kJ/moloC)
a bT cT-2 dT-3 , where T is temperature in
Chemicals A 103 B 105 C 108 D 1012
isobutane 89.46 30.13 -18.91 49.87
isobutene 82.88 25.64 -17.27 50.50
hydrogen 28.84 0.00765 0.3288 -0.8698
Heat Balances (based on initial guesses)
??mix ?A1HA1 ?B1HB1 100 mol/sHA0 -
(?A40.9 mol A/mol HA4) - (?A40.1 mol
fractionHB4) -78.64 kJ/mol
?A2HA2 ?B2HB2 ?C2HC2 - ?A1HA1
?B1HB1 9980.4 kJ/s
?A3HA3 ?B3HB3 ?C3HC3(?A40.900 mol
fractionHA4)(?B40.100 mol fractionHB4)
?A2HA2 - ?B2HB2 - ?C2HC2 -568.4 kJ/s
Click on the Hyperlink and click on the Final
Solution tab to see the final answer for the
Second Example Final Solution
Tier IIIOpen-ended problem
  • Approach to open-ended problem
  • Case Study.

  • Statement of Intent
  • Learn how to approach open-ended design problems
  • Solve a problem on your own

How to approach openended problems
  • State the problem clearly, including goals,
    constraints, and data requirements.
  • Define the trade-offs necessary.
  • Define the criteria for a valid solution.
  • Develop a set of cases to simulate possible
  • Perform the simulation and evaluate results
    against solution criteria.
  • Evaluate solutions against environmental, safety
    and financial considerations.

The Use of Limestone Slurry Scrubbing to Remove
Sulfur Dioxide from Power Plant Flue Gases
Prepared by Ronald W. Rousseau and Jack Winnick,
Georgia Tech Department of Chemical Engineering,
and Norman Kaplan, National Risk Management
Research Laboratory, United States EPA
About Coal
  • Protection of environment through process
    development is an important responsibility for
    chemical engineers
  • Coal is an abundant source of energy and source
    of raw materials in production
  • Predominately carbon, but contains other
    elements and hydrocarbon volatile matter

  • burned in many of worlds power plants to
    produce electricity
  • can produce a lot of pollution if gases not
    treated, like soot and ash
  • sulfur dioxide emissions regulated in the U.S.
    by the Environmental Protection Agency
  • current regulations are no more than 520 ng SO2
    per joule of heating value of the fuel fed to the
  • plants must remove 90 of SO2 released when

About Commercial Processing
  • SO2 removal is classified as regenerative or
  • throwaway processing can be modified to produce
  • throwaway processing uses separating agent to
    remove SO2 from stack gases followed by disposal
    of SO2 innocuously (CaSO3 ½ H2O) and a slurried
    separating agent of calcium carbonate

Process Description
  • want to produce 500 MWe (megawatts of
  • properties of coal given in table on next slide
  • coal fed at 25oC to furnace, burned with 15
    excess air
  • sulfur reacts to form SO2 and negligible SO3
  • carbon, hydrogen oxidized completely to CO2 and
  • nitrogen in coal leaves furnace as N2
  • ash in coal leaves furnace in two streams
  • 80 leaves as fly ash in furnace flue gas
  • remainder as bottom ash at 900oC

Component Dry Weight
Carbon 75.2
Hydrogen 5.0
Nitrogen 1.6
Sulfur 3.5
Oxygen 7.5
Ash 7.2
Moisture 4.8 kg/100 kg dry coal
HHV 30780 KJ/kg dry coal
Cp dry coal 1.046 kJ/(kgoC)
Cp ash 0.921 KJ/(kgoC)
  • combustion air brought into process at 25oC, 50
  • air sent to heat exchanger, temperature
    increased to 315oC
  • air then fed to boiler, reacts with coal
  • flue gas leaves furnace at 330oC, goes to
    electrostatic precipitator
  • 99.9 of particulate material removed
  • goes to air preheater, exchanges heat with
    combustion air
  • leaves air preheater and split into two equal
  • each stream is feed to one of two identical
    scrubber trains
  • trains sized to process 60 of flue gas

  • divided gas stream fed to scrubber, contacts
    aqueous slurry of limestone, undergoes adiabatic
    cooling to 53oC.
  • sulfur dioxide absorbed in the slurry and reacts
    with the limestone
  • CaCO3 SO2 ½ H2O CaSO3 ½ H2O
  • solid/liquid slurry enters scrubber at 50oC
  • liquid slurry flows at 15.2 kg liquid/kg inlet
  • solid to liquid ratio in the slurry is 19 by
  • liquid saturated with CaCO3 and CaSO3
  • cleaned flue gas
  • meets EPA SO2 requirements
  • leaves scrubber with saturated water at 53oC

  • cleaned flue gas contains CO2 generated in
    scrubbing but no fly ash
  • cleaned flue gas reheated to 80oC, blended with
    clean flue gas stream from other train, and
    sent to be released to atmosphere
  • solids in spent aqueous slurry
  • unreacted CaCO3, flyash from flue gas, inert
    materials, CaSO3
  • liquid portion of slurry saturated with CaCO3,
  • specific gravity of 0.988
  • spent slurry split in two
  • one stream sent to a blending tank, mixed with
    freshly ground limestone, makeup water, and
    recycle stream
  • fresh slurry stream from blending tank fed to
    top of scrubber

  • second stream sent to filter where wet solids
    containing fly ash, inert materials, CaSO3 and
    CaCO3 are separated from filtrate
  • filtrate saturated with CaSO3, CaCO3, and is the
    recycle stream fed to the blending tank
  • wet solids contain 50.2 liquid that has similar
    composition to filtrate
  • fresh ground limestone fed to blending tank at
    rate of 5.2 excess of that is required to react
    with SO2 absorbed from flue gas
  • limestone 92.1 CaCO3 and rest is insoluble
    inert material

  • Boiler generates steam at supercritical
  • 540oC and 24.1 MPa absolute
  • mechanical work derived by expanding steam
    through a power- generating system of turbines
  • low pressure steam extracted from power system
    contains 27.5 liquid water at 6.55 kPa absolute
  • heat removed from wet low pressure steam in a
    condenser by cooling water
  • cooling water enters condenser at 25oC and
    leaves at 28oC
  • saturated condensate at 38oC is produced by
    condenser and pumped back to boiler

  • Assume a basis of 100 kg dry coal/min fed to the
  • Construct a flowchart of the process and
    completely label the streams. Show the details of
    only one train in the scrubber operation. Do this
    in Excel.
  • Estimate the molar flow rate (kmol/min) of each
    element in the coal (other than those in the
  • Determine the feed rate (kmol/min) of O2 required
    for complete combustion of the coal.

  • If 15 excess oxygen is fed to combustion
    furnace, estimate the following
  • The oxygen and nitrogen feed rates (kmol/min)
  • The mole fraction of water in the wet air, the
    average molecular weight, and the molar flow rate
    of water in the air stream (kmol/min)
  • The air feed rate (kmol/min, m3/min)
  • Estimate flow rate (kmol/min, kg/min) of each
    component and composition (mole frac) of furnace
    flue gas (ignore fly ash). At what rate (kg/min)
    is fly ash removed from flue gas by the
    electrostatic precipitator?

6. If system is assumed to meet standard 90 SO2
removal released upon combustion a. Determine
flow rate (kg/min and kmol/min) of each
component in the flue gas leaving scrubber b.
Determine flow rate (kg/min) of slurry entering
scrubber c. Estimate solid-to-liquid mass
ratio in slurry leaving scrubber. d.
Estimate feed rate (kg/min) of fresh ground
limestone to the blending tank.
6. (continued) e. What are flow rates (kg/min)
of inerts, CaSO3, CaCO3, fly ash, and water, in
the wet solids removed from the filter? f.
Estimate rate (kg/min, L/min) at which filtrate
is recycled to blending tank. At what rate
(kg/min, L/min) is makeup water added to
blending tank? 7. At what rate is heat removed
from the furnace? Estimate the rate of steam
generation in the power cycle, assuming all the
heat removed from the furnace is used to make
  • Felder, R.F. and Rousseau, R.W. Elementary
    Principles of Chemical Processes, Third Edition.
    New York, John Wiley and Sons, 2000.
  • Smith, J.C. and Harriott, Peter. Unit Operations
    of Chemical Engineering, Sixth Edition. Boston,
    McGraw Hill, 2001.
  • Earle, R.L. Unit Operations in Food Processing,
    Second Edition. http//
  • Thibault, Jules. Notes, CHE 4311 Unit
    Operations. University of Ottawa, August 2002.
  • Genzer, Jan. Notes, CHE 225 Chemical Process
    Systems. North Carolina State University, August

  • Source on pictures for slides 13, 41,
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