Exercise D5: Separate

Exercise D5
• Develop and simulate a process to produce ammonia (NH3) from

two separate feeds of pure N2 and pure H2.
N2 (100% pure, 1 MPa., 100 C) & H2 (100% pure, 3 Mpa, 200 C)
No specifications (purity, T, P, phase) on ammonia product
• Literature suggests Haber-Bosch process for NH3 synthesis.
React on an iron catalyst at 10-25 MPa and 350-550 C. Per pass conversion
is 20-30%. Catalyst is not active below 400 C.
 Industrial Efficiency Tech Database, http://ietd.iipnetwork.org/content/ammonia-
synthesis) – Lots of other books / references exist.
 Actual conditions and conversion depend on the licensed technology.
• Assume adiabatic reactor at 20 MPa, a single stoichiometric gas
feed, and a per pass conversion of 25%.
• Process Synthesis: Develop a PFD (Process Flow Diagram).
Develop BFD: How to identify all required operations?
Copyright © IA Karimi 1
Each Process has Physicochemical Operations
• Reaction
• Heating
• Cooling
• ?
• ?
• ?
• ?
• ?
• ?
• ?
Example 1
Point A Which Operation

Must Exist Point B
P = 1 atm Between A & B?
T = 90 C P = 1 atm
z, f=0 T = 90 C
F = 100 kg/s Process z, f=0
F = 30 kg/s
z = composition, f = vapor fraction
Which stream variable changed?
Example 2

Point B
Must Exist
P = 1 atm Between A & B? P = 1 atm
T = 90 C T = 30 C
z, f=0 z, f=0
F = 100 kg/s Process F = 100 kg/s
Example 3

Point B
Must Exist
T = 30 C z, f=0
z, f=0 F = 100 kg/s
F = 100 kg/s Process
Example 4

Point B
Must Exist
T = 30 C z, f=1
z, f=1 F = 100 kg/s
F = 100 kg/s Process
Example 5

Point B
Must Exist
T = 100 C T = 100 C
z, f=0 z, f=1
F = 100 kg/s Process F = 100 kg/s
Example 6

Must Exist Point B
P = 1 atm Between A & B?
T = 30 C P = 1 atm
z = 0.5, f=0 T = 30 C
F = 100 kg/s Process z = 0.9, f=0
F = 30 kg/s
Example 7

Point B
Must Exist
T = 200 C T = 200 C
f=1 f=1
N2 + H2 Process N2 + H2 + NH3
F = 100 kg/s F = 100 kg/s
Compare the state variables of streams at ANY TWO points in a process

to infer operations that must occur between the two points.
Is there a method (guide, sequence) for identifying operations?
How can we arrange/assemble the identified operations into a BFD?
Develop a BFD for Ammonia Process
Hydrogen Feed
(100% pure, 3 MPa, 200 C)
Process? Ammonia Product

(BFD?) (20 MPa)
Nitrogen Feed
(100% pure, 1 MPa, 100 C)
Let the overall process be an unknown BFD black box.

P-change? T-change? F-change? f-change? s-change? c-change?
Which operation/s may/must exist? Which to install first?
Prioritize operations for installation: s  c  f  P  T  F
Install Reaction, Connect, & Fix Conditions
Hydrogen Feed
(100% pure,
3 MPa, 200 C)
Reaction Ammonia
20 MPa N2 + 3H2  2NH3
20 MPa
P1? P2? Product
20 MPa, adiabatic
25% Conversion (20 MPa)
Nitrogen Feed
(100% pure, Single feed, so only
1 MPa, 100 C) one block P1 & P2
Let us examine P2.

Any s-change across P2? c-change? f-change?
P-change? T-change? F-change?
What operation/s must P2 have? What to do?
Identify State Changes across P1
Hydrogen Feed
(100% pure,
3 MPa, 200 C)
Reaction Ammonia
20 MPa N2 + 3H2  2NH3
P1? Product
20 MPa, adiabatic
Nitrogen Feed
(100% pure, Single
1 MPa, 100 C) Stoichiometric
feed
Pick P1 as the unknown BFD block.

Any s-change across P1? c-change?
What operation/s must P1 have? What to do?
Install Mix, Connect, & Fix Conditions
Hydrogen Feed
(100% pure, P3?
3 MPa, 200 C)
A
20 MPa Reaction Ammonia
Mix C N2 + 3H2  2NH3 Product
P? T?
P5? 20 MPa, adiabatic
Nitrogen Feed B
(100% pure, P4?
1 MPa, 100 C)
P & T for Mix? Let us first decide P at C.

Can P at C be 0.5 MPa? 1 MPa? 2 MPa? 20 MPa? 30 MPa?
How many pressures feasible at C? What is your choice?
How to fix P at A & B? Try A at 3 MPa & B at 1 MPa.
Decide Pressures at A & B
ΔP = 0 ΔP = 0
A (3 MPa) B (1 MPa)
●
C (20 MPa)
• 1 MPa from RHS, 3 MPa from LHS, what about P at ●?

Can P = 1 MPa & P = 3 MPa possible at ●? Two pressures okay at ●?
• Fact: A point in a fluid cannot have …
• If so, then is P = 1 MPa at ●? 3 MPa? (1+20+3)/3 Mpa?
Is any P correct for the desired steady flows? What is wrong?
• Rule: Deliberately make ……………. BEFORE mixing
• Do we face the same issue with temperatures?
Fix Pressures at A, B, C, and thus Mix
Hydrogen Feed
(100% pure, P3?
3 MPa, 200 C) A
20 MPa C Reaction Ammonia
Mix 20 MPa N2 + 3H2  2NH3 Product
(20 Mpa) 20 MPa, adiabatic
20 MPa
Nitrogen Feed B
(100% pure, P4?
1 MPa, 100 C)
What phases at A & B will allow easier and cheaper mixing?

Heuristic: Mixing is the easiest, when phases ….
Fact: Mixing requires energy; increases from gas to liquid to solid.
Fix Phases (Temperature) at A & B, thus C
Hydrogen Feed Gas @20 MPa
(100% pure, P3?
3 MPa, 200 C)
Reaction Ammonia
Nitrogen Feed
(100% pure, P4?
1 MPa, 100 C) Gas @20 MPa
Consider P4.
s-change? c-change? f-change? P-change?
What operation in P4?
Replace P4 by Compress
Hydrogen Feed
(100% pure, P3?
3 MPa, 200 C)
20 MPa
Nitrogen Feed
(100% pure, Compress
1 MPa, 100 C)
Consider P3.
s-change? c-change? f-change? P-change?
What operation in P3?
Replace P3 by Compress
Hydrogen Feed
3 MPa, 200 C)
20 MPa
Nitrogen Feed
1 MPa, 100 C)
No unknown BFD block! This is our desired BFD!

Convert BFD into PFD by selecting equipment for each operation.
What type of reactor? What type of compressor? Any mixer?
PFD for Ammonia Process
Crude
Feed H2 Ammonia
(3 MPa, 200 C)
Product
??
Feed N2
(1 MPa, 100 C)
??
This is our desired PFD (Process Flow Diagram) vs BFD.
General Process Synthesis Problem
Given:
PFD?
Given:
Raw Materials Final Products
Stream Variables Stream Variables
P, T, F, x, y, f, … P, T, F, x, y, f, …
Develop a PFD (Process Flow Diagram).
Algorithm for Process Synthesis: PFD via BFD
Select an unknown BFD box.
If no unknown box, then DONE.
Species change (s-change) across the box?

No Yes
Composition change (c-change)? Yes
No
Phase change (f-change)? Yes Install block/s into BFD.
Install one or more operations
No to effect the identified changes.
Pressure change (P-change)? Connect with other boxes/streams
Yes
No via new unknown boxes.
Temperature change (T-change)? Yes Select appropriate conditions (P, T),
if possible, for each operation.
No
Flow change (F-change)? Yes
No
Remove the unknown BFD box.
How to Simulate Ammonia Process?
• We must add the ammonia reaction into Aspen Hysys.
• To add any reaction, we must first select a model (RM).
• RM is a set of methods for doing rate, conversion, and equilibrium
calculations for a reaction.
While an FP quantifies thermophysical properties of species, an RM
quantifies reaction properties.
• How to select an RM? Select a reactor module!
• Aspen Hysys offers several reactors & FIVE RMs
Conversion Reactor  RM = Conversion
Equilibrium Reactor  RM = Equilibrium
PFR  RM = Kinetic, Simple Rate, or Heterogeneous Catalytic
CSTR  RM = Kinetic
The same reaction can be added at most five times using different RMs!
Simulating Reactors in Aspen Hysys
• Conversion reactor simulates a reactor using a given
%conversion for each reaction.
• Equilibrium reactor simulates a reactor by assuming that each
reaction reaches equilibrium in the reactor and using an
equilibrium constant.
What does “reaction reaching equilibrium in the reactor” mean?
• PFR (Plug Flow Reactor) simulates a gas-phase heterogeneous
catalytic tubular reactor using a rate expression for each
reaction.
• CSTR (Continuous stirred tank reactor) simulates liquid-phase
reactions using a rate expression for each reaction.
• All of them allow multiple reactions.
• Two more reactors for CN4123R: Gibbs and Yield Shift
Reaching Equilibrium in a Reactor?
A Tubular Reactor with A ↔ B A+B
Forward Rate Forward Rate Forward Rate Forward Rate
B Back Backwar
• Fast reactions and long residence time (long reactor)

Forward Rate Forward Rate Forward Rate Forward Rate Forward Rat Forward Rat Forward Rat
B Back Backwar Backward R Backward R Backward R
Reaction reaches equilibrium (zero net reaction rate) before exit (Reactor is equilibrium-controlled).
Will reaction conversion increase, if we increase reactor length?
• Slow reactions and short residence time (short reactor)

Forward Rate Forward Rate Forward Rate Forward Rate
B Back Backwar
Reaction cannot reach equilibrium. Reaction rate > 0 at exit (Reactor is rate-controlled).
Will reaction conversion increase, if we increase reactor length? 24
Copyright © IA Karimi
Algorithm for Selecting a Hysys Reactor
Do you know the reactions and stoichiometries?
No Yes
Know reaction Yes Conversion

Know feed &
conversions? Reactor
product species?
No
Yes
Have input/output Have reaction Yes
Gas phase?
data for reactor? rate expressions?
No Yes No
Yes No
Gibbs Yield Equilibrium
Reactor. Reactor Reactor PFR CSTR
Simulate Ammonia Synthesis Process
• Components? FP?
What type of components? Is any polar?
Do we have a liquid phase? Ideal gases?
No need for COMThermo: EOS is good for both liquid and vapor.
Use SRK (Suave-Redlich-Kwong) from Hysys databank.
• Which Hysys reactor will you use? What RM?
• Open a new Hysys case. Specify components.

• Select SRK from Hysys databank.
• Add ammonia reaction in Properties.
Add Reaction using RM = Conversion
Conversion Model – Stoichiometry & Data
MUST Add to FP
at the end.
Component for which

conversion is defined.
Reaction Phase
Conversion is %, not fraction!
Conversion as a function of T (K)
Simulate Ammonia Synthesis
• Enter simulation.
• Draw stream A (N2)
Set composition, P = 1 MPa, T = 100 C, and flow = 100 kgmol/h.
• Draw stream B (H2).
Set composition, P = 3 MPa, and T = 200 C.
• How about flow of B? Do we know?
Recall stoichiometric feed?
• Should we enter it manually?
• Can we get Hysys to do it automatically?
Set
• Logical module with no physical operation
Acts like a ratio controller with offset
• Fixes a “Target Variable” as a linear function of a “Source”
automatically.
Target Variable = Multiplier * Source + Offset
Multiplier and offset are known parameters.
Fix H2 flow (Target Variable)

automatically to 3(N2 Flow) (Source)
Multiplier = 3, Offset = 0
Set – Target/Source Objects & Variables
Select Target Variable first.
Then, select Source.
Note the directions

(input to output)
Never specified any ratio! Why is Hysys done?
of arrows.
Set - Parameters
Always set multiplier & offset (defaults may be unacceptable).
Revise BFD. Add Blocks in Hysys.
Pure H2
Compress
(3 MPa, 200 C)
Set
Product
Mix React (20 MPa)
Pure N2
Compress
(1 MPa, 100 C)
• Add one Compressor with A as feed and A1 as product.

Specify 20 MPa for A1.
• Add another Compressor with B as feed and B1 as product.
Specify 20 MPa for B1.
• What are the temperatures for A1 & B1? Why did they change?
Compressor (Centrifugal/Reciprocating)
• Increases pressure of a single gas stream.
Use for a fan, blower, or compressor.
Specify one of duty, P, or outlet pressure.
(Hysys computes the other two) Efficiencies
(Specify one only)
Performance curves
from vendor.
Why warning?
Install Next Block in Flow Sequence: Mixer
• Install a Mixer with A1 and B1 as inputs, and C as output.
• Mixer mixes multiple material/energy streams adiabatically into
one stream.
• How does Hysys compute pressure for Mixer output (C here)?
It assumes zero pressure drop.
It assigns pressure automatically using two options.
Option 1: Equalize All (This sets all input P’s to outlet P).
Option 2: Set Outlet to Lowest Inlet.
Install Next Block: Conversion Reactor
• Install Conversion reactor from Reactor block.
• How to make it adiabatic?
• What is the temperature of ammonia product?
Is it higher or lower than feed? Why?
• How to achieve an exit temperature of 450 C?
• What if we did not know reactor conversion?
Use reactor selection algorithm: Reactor? RM? What did we assume?
• Equilibrium reactor needs a reaction with RM = Equilibrium!
What to do?
Add Reaction using RM = Equilibrium
Ammonia synthesis reaction
1. Properties
2. Reactions
3. Set-1
4. Add Reaction (New)
5. Add Reaction (Hysys)
Equilibrium Model - Stoichiometry
Double Click
Stoichiometry coefficients
Species concentration in which

Keq is defined
Units of concentration
must be atm for partial
pressure, if Gibbs free energy
is used.)
Balance error must be zero!
Heat of reaction
Equilibrium Model - Keq
B
ln( K eq )  A   C  ln(T )  DT  ET 2  FT 3  GT 4  HT 5
T
(T in K)
𝚫𝑮 𝑹𝒆𝒂𝒄𝒕𝒊𝒐𝒏 𝑹𝑻𝒍𝒏 𝑲𝒆𝒒

Use atm units for partial pressure
Given fixed Keq
Keq vs. T data

(Hysys fits them to get a Ln(Keq) correlation
above. Input data here.)
Detects what is given for Keq

Equilibrium Model – Add to Fluid Package
First, add to FP
Then, add “Global Rxn Set” to

fluid package
Equilibrium Reactor - Connections
Specify
Input
Streams
Always specify energy stream

Needs a
reaction set
Equilibrium Reactor – Reactions
Select
Reaction Set
Needs duty View
Reaction Details
Equilibrium Reactor - Design Parameters
Specify ΔP or
outlet pressure Hysys is done!
Specify duty or outlet (reactor) temperature (Assume 450 C)
Equilibrium Reactor – Results
Reaction conversion wrt Nitrogen Reaction extent wrt Nitrogen
How to achieve exactly 50% conversion?

What if We Want 50% Conversion?
• What can we change in the reactor to convert 50% of N2?
Length of the tubular reactor?
Tweak 1?
Tweak 2?
• Which tweak do you prefer?
• How to find its value for 50%?
• Can Hysys do this automatically for us?
Adjust
Adjusted Variable
• Logical module (Feedback Controller)
• Manipulate an “Adjusted Variable” to
achieve a “Specified Target Value”
for a “Target Variable”.
Variables can be stream conditions or
equipment parameters.
Manipulate temperature or pressure to
achieve a desired reactor conversion.
• What is Adjusted Variable?
Target Variable
Target Value = 1 L/min • What is Target Variable?
• What is Target Value?
“Illusion” on Blackpool Pleasure
Beach, England
Source: http://www.flickr.com/photos/59303791@N00/2316207351/
Recommended Procedure for Adjust - 1
• Guess a value for Adjusted Variable.
Is BFD converged? Anything red/yellow/cyan/purple?
Are results reasonable? (e.g. no conversion)
If so, then check BFD and ALL inputs.
Do NOT proceed further, until BFD is working correctly.
• Vary Adjusted Variable manually to find a range [Minimum,
Maximum] for the desired answer (to achieve target value).
The smaller the range, the better for Adjust.
• Set Adjusted Variable ~ 0.5*(Minimum + Maximum).
• Drag & install Adjust in BFD.
Select Target and Adjusted Variables, specify target value.
Adjust - Connections
Note arrow 1. Select Adjusted.

directions. What is reactor T?
2. Select Target.
Ways to specify
a target value
Begin Adjust iterations.

(Disappears after first click.
Reset Adjusted Variable to restart Adjust.)
Recommended Procedure for Adjust - 2
• Open Parameters, even if Adjust has converged.
Decide & set tolerance (desired accuracy for Target Value).
 Conversion within 0.001%, temperature within 0.01 C, etc.
Set step size = 0.1*(Maximum–Minimum).
Specify Minimum and Maximum.
Click Start to begin iterations, if needed, or change the value of
Adjusted variable slightly to restart Adjust.
• Follow the recommended procedure every time.

• DO NOT interfere with Adjusted Variable.
Do not set or compute it any other parallel way.
Give Hysys FULL control to adjust it.
Adjust - Parameters
NLE solution method
Desired accuracy for the target value

(e.g. Conversion ~ 50 ± 0.001 %)
~ 0.1*(Maximum–Minimum)
[Minimum, Maximum]
Range of adjusted variable, which
surely includes the correct answer
(Use trial & error to identify range.)
Maximum iterations in one run

Use multiple Adjusts for multiple targets.
(Hysys allows multiple runs,
(Map unique Adjusted & Target variables for each)
so no need to change.)
(e.g. conversion & throughput as two Targets)
What if Reaction Does not Reach Equilibrium?
• We need a rate expression for each reaction.
2 𝑩𝒆𝒏𝒛𝒆𝒏𝒆 ↔ 𝑫𝒊𝒑𝒉𝒆𝒏𝒚𝒍 𝑯𝟐
𝒌𝒄𝒂𝒍 𝒌𝒄𝒂𝒍
𝒍𝒃𝒎𝒐𝒍 𝟓𝟎𝟗𝟎𝟔 𝟓𝟎𝟗𝟎𝟔
𝒑𝟐𝑩
𝒌𝒈𝒎𝒐𝒍 𝒌𝒈𝒎𝒐𝒍
𝒓 𝟓. 𝟗𝟖𝟕 𝟏𝟎𝟒 𝒆𝒙𝒑 𝟐. 𝟓𝟓𝟑 𝟏𝟎𝟓 𝒆𝒙𝒑 𝒑𝑫 𝒑𝑯
𝒎𝒊𝒏·𝒇𝒕𝟑 𝑹𝑻 𝑹𝑻
T in K. 𝒑𝑩 𝒂𝒏𝒅 𝒑𝑫 are partial pressures (psia) of benzene and diphenyl.
• Hysys cannot consider catalyst explicitly – Rate expression must

include the effect of catalyst.
• Each rate expression must have one of three RM forms.
Kinetic: 𝑟 𝑘 · 𝑓 𝑏𝑎𝑠𝑖𝑠 𝑘 · 𝑓 𝑏𝑎𝑠𝑖𝑠
Simple Rate: 𝑟 𝑘 · 𝑓 𝑏𝑎𝑠𝑖𝑠 𝑓 𝑏𝑎𝑠𝑖𝑠 /𝐾
· ·
Heterogeneous catalytic: 𝑟 · ·
𝑘, 𝑘 , 𝐾 , and 𝐾 are temperature-dependent rate constants.
• Use PFR for gas-phase and CSTR for liquid-phase reactions.
Select RM based on the rate expression form for each reaction.
Kinetic Parameters for A + B C+D
&
𝐴, 𝐵 , 𝐶 , 𝐷 are species concentrations (partial pressure, activity,

…)
𝑎, 𝑏, 𝑐, 𝑑 are forward reaction orders and 𝑎 , 𝑏 , 𝑐 , 𝑑 are backward
reaction orders wrt A, B, C, and D.
Stoichiometric coefficient is NOT reaction order for most real
reactions.
, ,
, and are rate constants.
𝐴, 𝐴 , 𝐴 , and 𝐴 are pre-exponential constants.
𝐸, 𝐸 , 𝐸 and 𝐸 are activation energies.
Kinetic RM: Stoichiometry & Parameters
Concentration in the
rate expression.
Component wrt which

conversion is defined.
Units of concentration.
Orders of reactions
What is the rate expression?
Units of reaction rate.
Map Expression to RM Form for Parameters
𝑻𝒐𝒍𝒖𝒆𝒏𝒆 𝑯𝟐 → 𝑩𝒆𝒏𝒛𝒆𝒏𝒆 𝑴𝒆𝒕𝒉𝒂𝒏𝒆 T = Toluene
H = Hydrogen
𝒍𝒃𝒎𝒐𝒍 𝟓𝟎𝟗𝟎𝟔 𝒌𝒄𝒂𝒍/𝒌𝒈𝒎𝒐𝒍 T = temperature (K)
𝟏/𝟐
𝒓𝟏 𝟑. 𝟔𝟖𝟓𝟖 𝟏𝟎𝟕 𝒆𝒙𝒑 𝒑𝑻 𝒑𝑯 𝒑 = partial pressure (psia)
𝒎𝒊𝒏 · 𝒇𝒕𝟑 𝑹𝑻
Which RM has the above rate form? Which parts are 𝒌? 𝒇 𝒃𝒂𝒔𝒊𝒔 ? 𝒌 ? 𝒇 𝒃𝒂𝒔𝒊𝒔 ?
What values are 𝑨? 𝒂? 𝒃? 𝒄? 𝒂 ? 𝑬?
2 𝑩𝒆𝒏𝒛𝒆𝒏𝒆 ↔ 𝑫𝒊𝒑𝒉𝒆𝒏𝒚𝒍 𝑯𝟐
𝒌𝒄𝒂𝒍 𝒌𝒄𝒂𝒍
𝒍𝒃𝒎𝒐𝒍 𝟓𝟎𝟗𝟎𝟔 𝟓𝟎𝟗𝟎𝟔
𝒌𝒈𝒎𝒐𝒍 𝟐 𝒌𝒈𝒎𝒐𝒍
𝒓𝟐 𝟓. 𝟗𝟖𝟕 𝟏𝟎𝟒 𝒆𝒙𝒑 𝒑𝑩 𝟐. 𝟓𝟓𝟑 𝟏𝟎𝟓 𝒆𝒙𝒑 𝒑𝑫 𝒑𝑯
𝒎𝒊𝒏 · 𝒇𝒕𝟑 𝑹𝑻 𝑹𝑻
B = Benzene, D = Diphenyl, T = temperature (K), 𝒑 = partial pressure (psia)
Which RM has the above rate form? Which parts are 𝒌? 𝒇 𝒃𝒂𝒔𝒊𝒔 ? 𝒌 ? 𝒇 𝒃𝒂𝒔𝒊𝒔 ?
What values are 𝑨? 𝑨 ? 𝒂? 𝒃? 𝒄? 𝒂 ? 𝒃 ? 𝒄? 𝑬?

Exercise D5: Separate

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Exercise D5: Separate

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Exercise D5

• Develop and simulate a process to produce ammonia (NH3) from

Point A Which Operation

Which stream variable changed?

Point A Which Operation

Which stream variable changed?

Point A Which Operation

Which stream variable changed?

Point A Which Operation

Which stream variable changed?

Point A Which Operation

Which stream variable changed?

Point A Which Operation

Which stream variable changed?

Point A Which Operation

Which stream variable changed?

Compare the state variables of streams at ANY TWO points in a process

Process? Ammonia Product

Let the overall process be an unknown BFD black box.

Let us examine P2.

Pick P1 as the unknown BFD block.

P & T for Mix? Let us first decide P at C.

• 1 MPa from RHS, 3 MPa from LHS, what about P at ●?

What phases at A & B will allow easier and cheaper mixing?

No unknown BFD block! This is our desired BFD!

This is our desired PFD (Process Flow Diagram) vs BFD.

Develop a PFD (Process Flow Diagram).

Species change (s-change) across the box?

• Fast reactions and long residence time (long reactor)

• Slow reactions and short residence time (short reactor)

Know reaction Yes Conversion

• Open a new Hysys case. Specify components.

Component for which

Conversion is %, not fraction!

Conversion as a function of T (K)

Fix H2 flow (Target Variable)

Select Target Variable first.

Then, select Source.

Note the directions

Always set multiplier & offset (defaults may be unacceptable).

• Add one Compressor with A as feed and A1 as product.

4. Add Reaction (New)

5. Add Reaction (Hysys)

Species concentration in which

𝚫𝑮 𝑹𝒆𝒂𝒄𝒕𝒊𝒐𝒏 𝑹𝑻𝒍𝒏 𝑲𝒆𝒒

Given fixed Keq

Keq vs. T data

Detects what is given for Keq

Then, add “Global Rxn Set” to

Always specify energy stream

Reaction conversion wrt Nitrogen Reaction extent wrt Nitrogen

How to achieve exactly 50% conversion?

• Which tweak do you prefer?

• How to find its value for 50%?

• Can Hysys do this automatically for us?

Note arrow 1. Select Adjusted.

Begin Adjust iterations.

• Follow the recommended procedure every time.

Desired accuracy for the target value

Maximum iterations in one run

• Hysys cannot consider catalyst explicitly – Rate expression must

𝐴, 𝐵 , 𝐶 , 𝐷 are species concentrations (partial pressure, activity,

Component wrt which