Lecture 4: Mass & Energy Balance

Chapters 3, 7-8 (Textbook) plus additional

material

Part-1: Extension of the mass balance model

Part-II: Different types-levels of decision
Part-III: Case-study (methods for design decision
making plus application of simulator for mass &
energy balance with simple model)

Process Simulation & Design, PPC, 2013 (lecture 4) 1

Design decisions versus sequence of tasks

Process Simulation & Design, PPC, 2013 (lecture 4) 2

Flowsheet for cyclohexane production: Mass balance

Process Simulation & Design, PPC, 2013 (lecture 4) 3

Flowsheet for cyclohexane production: Mass balance

4
Flowsheet for cyclohexane production: What are we solving?

Process Simulation & Design, PPC, 2013 (lecture 4) 5

Flowsheet for cyclohexane production: What are we solving?

Process Simulation & Design, PPC, 2013 (lecture 4) 6

Flowsheet for cyclohexane production: What are we solving?

Process Simulation & Design, PPC, 2013 (lecture 4) 7

Two ways to perform mass & energy balance simulations
•Use a process simulator (see PROII manual)
•Build your own simulator (see chapters 3, 7-8)
 Derive the model equations
 Find (use) a suitable solver to solve the model equations
Both alternatives will require you to specify* –
•The flowsheet
•Variables for all input streams
•Parameters for all unit modules (reactor, divider,
separator, mixer)
•Specify temperatures, pressures and/or phase condition
* By making design decisions on variables that need to be
specified
Process Simulation & Design, PPC, 2013 (lecture 4) 8
Mass & Energy Balance: Modelling Issues

Process Simulation & Design, PPC, 2013 (lecture 4) 9

 Mass & Energy Balance
Principle of conservation (mass)
Rate of accumulation = dM/dt
dM/dt = Massin – Massout + Massgen = 0 (for steady state)

Principle of conservation (energy)

Rate of accumulation = dE/dt
dE/dt = Energyin – Energyout + HR + Q = 0 (for steady state)

Process/unit

Q
Process Simulation & Design, PPC, 2013 (lecture 4) 10
 Simple mass & energy balance models

Note: A flash or component splitter can use the same model as

divider/splitter where iU (recovery if component i) is specified
recovery of for each compound i; splitter is called a stream
calculator in PROII 11
 Models for calculation of enthalpies
Liquid Enthalpy
 h (T) =  h0 +  xi  (CPL(T)) dT (from T0 to T)
 h (T) =  H (T) -  xi HVAPi (T)
Vapour Enthalpy
 H (T) =  H0 +  yi  (CPV (T)) dT (from T0 to T)
 H (T) =  h (T) +  yi HVAPi (T)
Heat of Reaction
HR =   i  hfi P - j  hfjR

Process Simulation & Design, PPC, 2013 (lecture 4) 12

 Models for calculation of enthalpies
 h (T) =  h0 +  xi  (CPL(T)) dT (from T0 to T)

 H (T) =  H0 +  yi  (CPV (T)) dT (from T0 to T)

HR =   i  hfi P - j  hfjR Q

F1, x1 F3, y3

F2, x2

F1 h1(T1) + Q = F2 h2(T2) + F3 H3(T3)

Calculation 1. Fix T2 = T3 and then calculate Q ??
Options
2. Fix Q and calculate T2 = T3 ??
Process Simulation & Design, PPC, 2013 (lecture 4) 13
Property model system Ideal
selection Ideal (hydrocarbons)
Non-ideal

Equations of
State (SRK, PR)

Property model
selection and
application:
Rules for selection

Process Simulation & Design, PPC, 2013 (lecture 4) 14

 Property model
selection options in
PROII:
Thermodynamic data

Process Simulation & Design, PPC, 2013 (lecture 4) 15

Inconsistent choice of thermodynamic models: Consequences - 1

Process Simulation & Design, PPC, 2013 (lecture 4) 16

Inconsistent choice of thermodynamic models: Consequences - 2

Process Simulation & Design, PPC, 2013 (lecture 4) 17

Decisions related to generation of data

Process Simulation & Design, PPC, 2013 (lecture 4) 18

 Decisions: Verify design

Process Simulation & Design, PPC, 2013 (lecture 4) 19

Ethanol Process: Case Study from Textbook

Process Simulation & Design, PPC, 2013 (lecture 4) 20

Ethanol Process: Case Study from Textbook

Process Simulation & Design, PPC, 2013 (lecture 4) 21

On simple MB-model flowsheet: Locate the specified variables
 52

5. DIV
51 03 5 41
31
4a. Mixer 4b. Splitter
01
4i
1 2 42
1. MIX 2. RXN 3. Splitter

02 3i, T, P
r,k r TR, PR 32
6. MIX
81 71
91 8. Splitter
6
7i
82 8i 7. Splitter
9.Splitter
72
92 9i T & P for all streams
If all the variables marked in blue are known, then all other variables
representing the flowhseet (MB-model) can be calculated!
Process Simulation & Design, PPC, 2013 (lecture 4) 22
Using option 1 from slide 13, perform M & E balance
52

5. DIV
51 03 5 41
31
4a. Mixer 4b. Splitter
01
4i
1 2 42
1. MIX 2. RXN 3. Splitter

02 3i
r,k r 32
6. MIX
81 71
91 8. Splitter
6
82
8i
7. Splitter
9.Splitter
72 7i
92 9i
First identify the ”tear stream”, the calculation sequence & a good estimate for
the tear stream, specify calculated Tj and selected Pj for all streams
Process Simulation & Design, PPC, 2013 (lecture 4) 23
 Close the recycle loop and add the last separator
Note: recycle loop is now closed. Check the calculation sequence.

Check the converged stream compositions & flowrates for S1 and S2

Process Simulation & Design, PPC, 2013 (lecture 4) 24

 Identify P & T for the P-T Flash and replace the stream calculator with a
model for the flash Unit-Op

Note: choice of property model is important

Process Simulation & Design, PPC, 2013 (lecture 4) 25

Specify T and P for distillate & bottom products in distillation columns

Dew point

Bubble point

Process Simulation & Design, PPC, 2013 (lecture 4) 26

Process Simulation & Design, PPC, 2013 (lecture 4) 27
Process Simulation & Design, PPC, 2013 (lecture 4) 28
Specify T and P for distillate & bottom products in distillation columns

29
Add heat exchangers, pumps, compressors, expansion valves,
etc., to change stream T and/or P

Process Simulation & Design, PPC, 2013 (lecture 4) 30

 Mass and Energy balances for Ethanol Process Flowsheet

Compare the results with those obtained through PROII

Process Simulation & Design, PPC, 2013 (lecture 4) 31
 Next Task & Next Lecture

Process Simulation & Design, PPC, 2013 (lecture 4) 32