CEIC3004 Process Equipment Design — Distillation Column Design

DCD

Rigorous Methods for

Multicomponent
Distillation Calculation
Sarah Grundy; [Link]@[Link]
Emma Lovell; [Link]@[Link]
Useful resources

• Textbooks (both on Moodle):

• Separation Process Principles (3rd ed.) Chapters 10 & 12
• Perry’s Chemical Engineers’ Handbook (7th ed.) p.13.39 - 13.54
 Before we start …
• Resources: Separation Process Principles (3rd ed.)

• DCD folders (Moodle) arranged in weeks as per topic area below

• Software: Aspen Plus (UNSW myAccess)

• Course schedule: DCD

 Lecture DCD 0: Pre-work on Binary Distillation Column (CEIC3001)
 Lecture DCD 1: Multicomponent flash calculation (SG)
 Lecture DCD2: Shortcut method (EL)
 Lecture DCD3: Rigorous solution procedures (SG)
 Lecture DCD4: Process simulation on DCD (SG)
 Lecture DCD5: Column design: plate efficiency, sizing and packing (EL)
 Lecture DCD6: Plate Hydraulic design (EL)
 Lecture DCD7: Enhanced distillation (SG)
 Lecture DCD8: Residue curve maps (EL)
 Followed by Design Report workshops
Recap of DCD1 and DCD2
Reminder: Fenske Equation for
minimum number of stages (DCD2)
• Fenske equation: to calculate the minimum number of theoretical plates required for the
separation of a multicomponent feed stream by a distillation column that is operated at
TOTAL REFLUX (no overhead distillate is being withdrawn from the column).
• Reflux ratio: the ratio between the amount of reflux that goes back down the
distillation column and the amount of top product (distillate).

𝑥𝑥𝑑𝑑 1 − 𝑥𝑥𝑏𝑏
𝑙𝑙𝑜𝑜𝑔𝑔
1 − 𝑥𝑥𝑑𝑑 𝑥𝑥𝑏𝑏
Fenske equation (binary) 𝑁𝑁𝑚𝑚 =
𝑙𝑙𝑜𝑜𝑔𝑔𝛼𝛼𝑎𝑎𝑣𝑣𝑔𝑔

𝑥𝑥𝐿𝐿𝐿𝐿 𝑥𝑥𝐻𝐻𝐻𝐻
𝑙𝑙𝑙𝑙𝑙𝑙
𝑥𝑥𝐻𝐻𝐻𝐻 𝐷𝐷 𝑥𝑥𝐿𝐿𝐾𝐾 𝐵𝐵
Fenske equation (multicomponent) 𝑁𝑁𝑚𝑚 =
𝑙𝑙𝑜𝑜𝑔𝑔𝛼𝛼𝑎𝑎𝑎𝑎𝑎𝑎
1/2
𝐾𝐾𝑖𝑖 α𝑎𝑎𝑎𝑎𝑎𝑎 ≈ α𝐿𝐿𝐿𝐿/𝐻𝐻𝐻𝐻 α𝐿𝐿𝐿𝐿/𝐻𝐻𝐻𝐻
Relative volatility 𝛼𝛼𝑖𝑖 ,𝑗𝑗 = α𝑎𝑎𝑎𝑎𝑎𝑎 ≈ α𝐿𝐿𝐿𝐿/𝐻𝐻𝐻𝐻 𝐷𝐷 𝐵𝐵
1/3
𝐹𝐹
𝐾𝐾𝑗𝑗 α𝑎𝑎𝑎𝑎𝑎𝑎 ≈ α𝐿𝐿𝐿𝐿/𝐻𝐻𝐻𝐻
𝐷𝐷
α𝐿𝐿𝐿𝐿/𝐻𝐻𝐻𝐻
𝐹𝐹
α𝐿𝐿𝐿𝐿/𝐻𝐻𝐻𝐻
𝐵𝐵
Fenske Equation — Relative volatility
(DCD2)
𝛼𝛼 𝑎𝑎𝑣𝑣𝑔𝑔 ≈ 𝛼𝛼𝐿𝐿𝐾𝐾/ 𝐻𝐻𝐾𝐾 𝐹𝐹
𝑥𝑥𝐿𝐿𝐿𝐿 𝑥𝑥𝐻𝐻𝐻𝐻
𝑙𝑙𝑙𝑙𝑙𝑙 𝛼𝛼𝐿𝐿𝐾𝐾/𝐻𝐻𝐾𝐾
1/2
𝑥𝑥𝐻𝐻𝐻𝐻 𝐷𝐷 𝑥𝑥𝐿𝐿𝐾𝐾 𝐵𝐵
𝛼𝛼 𝑎𝑎𝑣𝑣𝑔𝑔 ≈ 𝛼𝛼𝐿𝐿𝐾𝐾/𝐻𝐻𝐾𝐾 𝐷𝐷 𝐵𝐵
𝑁𝑁𝑚𝑚 = 1/3
𝑙𝑙𝑜𝑜𝑔𝑔𝛼𝛼𝑎𝑎𝑎𝑎𝑎𝑎 𝛼𝛼𝑎𝑎 𝑣𝑣 ≈ 𝛼𝛼𝐿𝐿𝐾𝐾/𝐻𝐻𝐾𝐾 𝛼𝛼𝐿𝐿𝐾𝐾/𝐻𝐻𝐾𝐾 𝛼𝛼𝐿𝐿𝐾𝐾/𝐻𝐻𝐾𝐾
𝐷𝐷 𝐹𝐹 𝐵𝐵

𝐾𝐾𝑖𝑖
𝛼𝛼𝑖𝑖 ,𝑗𝑗 =
𝐾𝐾𝑗𝑗 T, P given  De Priester chart
𝑦𝑦 / 𝑥𝑥𝑖𝑖
𝛼𝛼𝑖𝑖 ,𝑗𝑗 = 𝑖𝑖 VLE y-x diagram (binary) given
𝑦𝑦𝑗𝑗 / 𝑥𝑥𝑗𝑗

𝑦𝑦𝑖𝑖 / 𝑥𝑥𝑖𝑖 𝑝𝑝 ° 𝑖𝑖 / 𝑝𝑝𝑡𝑡𝑜𝑜𝑡𝑡𝑎𝑎𝑙𝑙 𝑝𝑝° 𝑖𝑖

𝛼𝛼𝑖𝑖 ,𝑗𝑗 = =
𝑦𝑦𝑗𝑗 / 𝑥𝑥j 𝑝𝑝°j/𝑝𝑝𝑡𝑡 𝑜𝑜 𝑡𝑡 𝑎𝑎 𝑙𝑙
= °
𝑝𝑝 j Component saturated vapour pressures for ideal liquids
Reminder: Single-stage flash calculations (DCD1)
Equation Description Number of equations
𝑇𝑇𝑉𝑉 = 𝑇𝑇𝐿𝐿 Thermal equilibrium 1
𝑃𝑃𝑉𝑉 = 𝑃𝑃𝐿𝐿 Mechanical equilibrium 1
𝐹𝐹𝑧𝑧𝑖𝑖 = 𝐿𝐿𝑥𝑥𝑖𝑖 + 𝑉𝑉𝑦𝑦𝑖𝑖 Component material C
balance
𝑦𝑦𝑖𝑖 = 𝐾𝐾𝑖𝑖𝑥𝑥𝑖𝑖 Phase equilibrium C
𝑐𝑐 𝑐𝑐

� 𝑦𝑦𝑖𝑖 = 1 � 𝑥𝑥𝑖𝑖 = 1 Summations 2

𝑖𝑖=1 𝑖𝑖=1

ℎ𝐹𝐹𝐹𝐹 + Q = ℎ𝑉𝑉𝑉𝑉 + ℎ𝐿𝐿𝐿𝐿 Energy balance 1

Total 2C + 5
𝐾𝐾𝑖𝑖 = 𝑓𝑓 (𝑇𝑇𝑉𝑉, 𝑃𝑃𝑉𝑉, 𝑦𝑦, 𝑥𝑥) ℎ 𝑠𝑠𝑡𝑡𝑟𝑟𝑒𝑒𝑎𝑎𝑚𝑚 = 𝑓𝑓( 𝑇𝑇𝑠𝑠𝑡𝑡𝑟𝑟𝑒𝑒𝑎𝑎𝑚𝑚, 𝑃𝑃𝑠𝑠𝑡𝑡𝑟𝑟𝑒𝑒𝑎𝑎𝑚𝑚, 𝑠𝑠𝑡𝑡𝑟𝑟𝑒𝑒𝑎𝑎𝑚𝑚 𝑐𝑐𝑜𝑜𝑚𝑚𝑝𝑝𝑜𝑜𝑠𝑠𝑖𝑖𝑡𝑡𝑖𝑖𝑜𝑜𝑛𝑛)

MESH equations
Material balances, Equilibrium ratios, Summations, and H-equation (energy balance)
MESH Equations for multi-component
multi-stage distillation
Overall material balance
𝑗𝑗

𝐿𝐿𝑗𝑗 = 𝑉𝑉𝑗𝑗+1 + � 𝐹𝐹𝑚𝑚 − 𝑈𝑈𝑚𝑚 − 𝑊𝑊𝑚𝑚 − 𝑉𝑉1

Material 𝑚𝑚=1
balances
Component material balance
𝐿𝐿𝑗𝑗−1 𝑥𝑥𝑖𝑖,𝑗𝑗−1 + 𝑉𝑉𝑗𝑗+1 𝑦𝑦𝑖𝑖,𝑗𝑗+1 + 𝐹𝐹𝑗𝑗 𝑧𝑧𝑖𝑖,𝑗𝑗 − 𝐿𝐿𝑗𝑗 + 𝑈𝑈𝑗𝑗 𝑥𝑥𝑖𝑖,𝑗𝑗
− 𝑉𝑉𝑗𝑗 + 𝑊𝑊𝑗𝑗 𝑦𝑦𝑖𝑖,𝑗𝑗 = 0
Equilibrium
𝑦𝑦𝑖𝑖,𝑗𝑗 = 𝐾𝐾𝑖𝑖,𝑗𝑗 𝑥𝑥𝑖𝑖,𝑗𝑗
ratios
𝑐𝑐

� 𝑦𝑦𝑖𝑖,𝑗𝑗 = 1
Summations 𝑖𝑖=1
𝑐𝑐

� 𝑥𝑥𝑖𝑖,𝑗𝑗 = 1
𝑖𝑖=1
H-equations
𝐿𝐿𝑗𝑗−1 ℎ𝐿𝐿,𝑗𝑗−1 + 𝑉𝑉𝑗𝑗+1 ℎ𝑉𝑉,𝑗𝑗+1 + 𝐹𝐹𝑗𝑗 ℎ𝐹𝐹,𝑗𝑗 − 𝐿𝐿𝑗𝑗 + 𝑈𝑈𝑗𝑗 ℎ𝐿𝐿,𝑗𝑗
(energy
− 𝑉𝑉𝑗𝑗 + 𝑊𝑊𝑗𝑗 ℎ𝑉𝑉,𝑗𝑗 − 𝑄𝑄𝑗𝑗 = 0
balance)
…….Isothermal flash calculation steps (DCD1)

Step Equation
1 𝑇𝑇𝑉𝑉 = 𝑇𝑇𝐿𝐿

2 𝑃𝑃𝑉𝑉 = 𝑃𝑃𝐿𝐿
3 𝑧𝑧 𝑖𝑖 (1−𝐾𝐾𝑖𝑖)
𝑐𝑐

Check f(0) < 0, f(1) > 0, solve 𝑓𝑓 𝜓𝜓 = �

𝑖𝑖=1 1+𝜓𝜓( 𝐾𝐾 𝑖𝑖 −1) =0

4 𝑉𝑉 = 𝜓𝜓𝐹𝐹
𝐿𝐿 = 1 − 𝜓𝜓 𝐹𝐹
5 𝑧𝑧𝑖𝑖
𝑥𝑥𝑖𝑖 =
1 + 𝜓𝜓(𝐾𝐾𝑖𝑖 − 1)
6 𝐾𝐾𝑖𝑖 𝑧𝑧𝑖𝑖
𝑦𝑦i =
1 + 𝜓𝜓(𝐾𝐾𝑖𝑖 − 1)
7 𝑄𝑄 = ℎ𝑉𝑉𝑉𝑉 + ℎ𝐿𝐿𝐿𝐿 − ℎ𝐹𝐹𝐹𝐹
Which of these calculations would you use for
estimating the top of a distillation column?
A. Bubble point
B. Dew point
C. Fenske equation
D. Rachford-Rice equation
E. None of the above
Which of these calculations would you use for
estimating the bottom of a distillation column?
A. Bubble point
B. Dew point
C. Fenske equation
D. Rachford-Rice equation
E. None of the above
Which of these calculations would you use for
estimating the composition in a single-stage
of a distillation column?
A. Bubble point
B. Dew point
C. Fenske equation
D. Rachford-Rice equation
E. None of the above
Which of these calculations would you use for
estimating the minimum number of stages in
a distillation column?
A. Bubble point
B. Dew point
C. Fenske equation
D. Rachford-Rice equation
E. None of the above
For the Underwood equation, should you
use Class 1 or Class 2?
A. Class 1
B. Class 2
Lecture Learning Outcomes
1. Appreciate rigorous method calculations for
multicomponent distillation column

2. Understand the rigorous methods behind the process

simulators when designing distillation column!

3. Evaluate and solve distillation column problems by

applying rigorous methods
 Mathematical solutions – today!
• Design method — Known separation requirement  Predict n and R etc. —
FUG (shortcut), Lewis-Matheson (rigorous)
• Rating method — Known number of stages  Predict distribution of
components etc. — Smith-Brinkley (shortcut), Thiele-Geddes, Sum-Rates &
Newton-Raphson (rigorous)

Today!
1. Stage-by-stage methods — Thiele-Geddes method (excel spreadsheet)
2. Tridiagonal matrix algorithm (TDMA) methods — Sum-Rates method (computer simulators)
3. Simultaneous Correction (SC) methods — Newton-Raphson method (computer simulators)
 Thiele-Geddes Method:
A Stage-by-stage Rating Method
Thiele-Geddes Method: Principles
𝑙𝑙𝑖𝑖,𝑛𝑛
Liquid-distillate ratio 𝑟𝑟𝑖𝑖,𝑛𝑛 ≡
𝑑𝑑𝑖𝑖
𝑙𝑙 ′ 𝑖𝑖,𝑚𝑚
Liquid-bottoms ratio 𝑠𝑠𝑖𝑖,𝑚𝑚 ≡
𝑏𝑏𝑖𝑖

• From the top, use stage-by-stage calculation to obtain ri,n just above the
feed for all components i.
• From the bottom, use stage-by-stage calculation to obtain si,m just
below the feed for all components i.
• Combining these ratios with the mass balance around the feed plate
(𝑙𝑙𝑖𝑖′ = 𝑙𝑙𝑖𝑖 + 𝑞𝑞𝑖𝑖 𝑓𝑓𝑖𝑖 ) and the material balance around the whole column (𝑏𝑏𝑖𝑖 +
𝑑𝑑𝑖𝑖 = 𝑓𝑓𝑖𝑖 ) then gives values for di and bi.
Thiele-Geddes Method — Condenser
What happens in the condenser:

For total condenser (NOTE: Total condenser ≠ Total reflux):

𝑥𝑥𝑖𝑖,𝑁𝑁+1 = 𝑥𝑥𝑖𝑖,𝐷𝐷
𝑙𝑙𝑖𝑖,𝑁𝑁+1 𝐿𝐿 × 𝑥𝑥𝑖𝑖,𝑁𝑁+1 𝐿𝐿
𝑟𝑟𝑖𝑖,𝑁𝑁+1 ≡ = = = 𝑅𝑅
𝑑𝑑𝑖𝑖 𝐷𝐷 × 𝑥𝑥𝑖𝑖,𝐷𝐷 𝐷𝐷
For partial condenser:
𝑥𝑥𝑖𝑖,𝐷𝐷 = 𝑦𝑦𝑖𝑖,𝑁𝑁+1 = 𝐾𝐾𝑖𝑖 × 𝑥𝑥𝑖𝑖,𝑁𝑁+1
𝑙𝑙𝑖𝑖,𝑁𝑁+1 𝐿𝐿 × 𝑥𝑥𝑖𝑖,𝑁𝑁+1 𝐿𝐿 × 𝑥𝑥𝑖𝑖,𝑁𝑁+1 𝑅𝑅
𝑟𝑟𝑖𝑖,𝑁𝑁+1 ≡ = = =
𝑑𝑑𝑖𝑖 𝐷𝐷 × 𝑥𝑥𝑖𝑖,𝐷𝐷 𝐷𝐷 × 𝐾𝐾𝑖𝑖 × 𝑥𝑥𝑖𝑖,𝑁𝑁+1 𝐾𝐾𝑖𝑖
Thiele-Geddes Method — Rectifying
section
What happens in the rectifying section:

𝐿𝐿𝑛𝑛 𝐿𝐿𝑛𝑛 𝑥𝑥𝑛𝑛 𝑙𝑙𝑛𝑛

Component absorption factor: 𝐴𝐴𝑛𝑛 = = =
𝐾𝐾𝑛𝑛 𝑉𝑉𝑛𝑛 𝑉𝑉𝑛𝑛 𝑦𝑦𝑛𝑛 𝑣𝑣𝑛𝑛
𝑦𝑦𝑛𝑛 𝐿𝐿𝑛𝑛 𝑉𝑉𝑛𝑛 𝑦𝑦𝑛𝑛 𝑙𝑙𝑛𝑛 𝑣𝑣𝑛𝑛
𝑥𝑥𝑛𝑛 = 𝐿𝐿𝑛𝑛 𝑥𝑥𝑛𝑛 = 𝑙𝑙𝑛𝑛 = 𝐴𝐴𝑛𝑛 𝑣𝑣𝑛𝑛 = 𝐴𝐴𝑛𝑛
𝐾𝐾𝑛𝑛 𝐾𝐾𝑛𝑛 𝑉𝑉𝑛𝑛 𝑑𝑑 𝑑𝑑

Component material balance from stage n to the top of the column:

𝑣𝑣𝑛𝑛 𝑙𝑙𝑛𝑛+1 𝑙𝑙𝑛𝑛 𝑙𝑙𝑛𝑛+1
𝑣𝑣𝑛𝑛 = 𝑙𝑙𝑛𝑛+1 + 𝑑𝑑 = +1 = + 1 𝐴𝐴𝑛𝑛 𝑟𝑟𝑛𝑛 = 𝑟𝑟𝑛𝑛+1 + 1 𝐴𝐴𝑛𝑛
𝑑𝑑 𝑑𝑑 𝑑𝑑 𝑑𝑑

For stage N:
𝑙𝑙𝑁𝑁+1 𝐿𝐿𝑁𝑁+1
𝑙𝑙𝑁𝑁 𝑙𝑙𝑁𝑁+1 = = 𝑅𝑅 𝑙𝑙𝑁𝑁
= + 1 𝐴𝐴𝑁𝑁 𝑑𝑑 𝐷𝐷
= 𝑅𝑅 + 1 𝐴𝐴𝑁𝑁
𝑑𝑑 𝑑𝑑 Total condenser 𝑑𝑑
Thiele-Geddes Method — Stripping
section
What happens in the stripping section:

𝐾𝐾𝑚𝑚 𝑉𝑉𝑚𝑚 𝑉𝑉𝑚𝑚 𝑦𝑦𝑚𝑚 𝑣𝑣𝑚𝑚

Component stripping factor: 𝑆𝑆𝑚𝑚 = = =
𝐿𝐿𝑚𝑚 𝐿𝐿𝑚𝑚 𝑥𝑥𝑚𝑚 𝑙𝑙𝑚𝑚

𝐾𝐾𝑚𝑚 𝑉𝑉𝑚𝑚 𝑣𝑣𝑚𝑚 𝑙𝑙𝑚𝑚

𝑦𝑦𝑚𝑚 = 𝐾𝐾𝑚𝑚 𝑥𝑥𝑚𝑚 𝑉𝑉𝑚𝑚 𝑦𝑦𝑚𝑚 = 𝐿𝐿 𝑥𝑥 𝑣𝑣𝑚𝑚 = 𝑆𝑆𝑚𝑚 𝑙𝑙𝑚𝑚 = 𝑆𝑆𝑚𝑚
𝐿𝐿𝑚𝑚 𝑚𝑚 𝑚𝑚 𝑏𝑏 𝑏𝑏

Component material balance from stage n to the bottom of the column:

𝑙𝑙𝑚𝑚+1 𝑣𝑣𝑚𝑚 𝑙𝑙𝑚𝑚+1 𝑙𝑙𝑚𝑚

𝑙𝑙𝑚𝑚+1 = 𝑣𝑣𝑚𝑚 + 𝑏𝑏 = +1 = 𝑆𝑆𝑚𝑚 + 1 𝑠𝑠𝑚𝑚+1 = 𝑠𝑠𝑚𝑚 𝑆𝑆𝑚𝑚 + 1
𝑏𝑏 𝑏𝑏 𝑏𝑏 𝑏𝑏
For stage 1:

𝑙𝑙2 𝑉𝑉1 𝐾𝐾1 𝑙𝑙2

= +1 = 𝑆𝑆1 + 1
𝑏𝑏 𝐵𝐵 𝑏𝑏
Thiele-Geddes Method —
Overall procedure
Step 1
• Assume column T-profile
• Assume V-profile (start with V = constant)
• Calculate Ki for each component i & each stage n
Iteration starts
Step 2
From condenser down to feed plate (stage M)
• Total condenser: 𝑟𝑟𝑖𝑖,𝑁𝑁+1 = 𝑅𝑅
• Partial condenser: 𝑟𝑟𝑖𝑖,𝑁𝑁+1 = 𝑅𝑅⁄𝐾𝐾𝑖𝑖

• Rectifying section: 𝑟𝑟𝑖𝑖,𝑛𝑛 = 𝑟𝑟𝑖𝑖,𝑛𝑛+1 + 1 𝐴𝐴𝑛𝑛

• Calculate liquid-distillate ratio ri,n from ri,N+1 all the way down to stage M+1
(one stage above feed plate)
• End loop (at the end of this loop, ri,M+1 or li,M+1/di can be obtained)
Thiele-Geddes Method —
Overall procedure (cont’d)
Step 3
From reboiler up to feed plate (stage M)
• Reboiler: 𝑠𝑠𝑖𝑖,0 ≡ 𝑙𝑙𝑖𝑖,0 ⁄𝑏𝑏𝑖𝑖 = 1 (𝑙𝑙𝑖𝑖,0 = 𝑏𝑏𝑖𝑖 )

• Stripping section: 𝑠𝑠𝑖𝑖,𝑚𝑚+1 = 𝑠𝑠𝑖𝑖,𝑚𝑚 𝑆𝑆𝑖𝑖,𝑚𝑚 + 1

• Calculate liquid-bottom ratio si,m+1 from si,0 all the way up to stage
M+1 (one stage above the feed plate)
• End loop (at the end of this loop, si,M+1 or l’i,M+1/bi can be obtained,
where l’i,M+1 is the liquid flow rate of component i just above the
feed plate)
Thiele-Geddes Method —
Overall procedure (cont’d)
Step 4
Check the material balance at the feed plate (stage M)
• Mass balance at the feed plate (q: liquid feed fraction):
𝑙𝑙𝑙𝑀𝑀+1 = 𝑙𝑙𝑖𝑖,𝑀𝑀+1 + 𝑞𝑞𝑓𝑓𝑖𝑖

𝑙𝑙𝑀𝑀+1 = 𝑟𝑟𝑖𝑖,𝑀𝑀+1 𝑑𝑑𝑖𝑖

𝑙𝑙𝑙𝑀𝑀+1 = 𝑠𝑠𝑖𝑖,𝑀𝑀+1 𝑏𝑏𝑖𝑖
𝑠𝑠𝑖𝑖,𝑀𝑀+1 𝑏𝑏𝑖𝑖 = 𝑟𝑟𝑖𝑖,𝑀𝑀+1 𝑑𝑑𝑖𝑖 + 𝑞𝑞𝑓𝑓𝑖𝑖
𝑏𝑏𝑖𝑖 = 𝑓𝑓𝑖𝑖 − 𝑑𝑑𝑖𝑖
𝑑𝑑𝑖𝑖 𝑠𝑠𝑖𝑖,𝑀𝑀+1 − 𝑞𝑞
=
𝑓𝑓𝑖𝑖 𝑟𝑟𝑖𝑖,𝑀𝑀+1 + 𝑠𝑠𝑖𝑖,𝑀𝑀+1
• Calculate bi, and di, from mass balances at the feed plate & over
the column
Thiele-Geddes Method —
Overall procedure (cont’d)
Step 5
Re-evaluate the column profiles
• Re-calculate the column T-profile (bubble point calculation)
• Re-calculate the column V-profile (heat balance)
 From stripping section, Vm can be found from:
Material balance: 𝑉𝑉𝑚𝑚 = 𝐿𝐿𝑚𝑚+1 − 𝐵𝐵
Energy balance: 𝐻𝐻𝑉𝑉 𝑚𝑚 𝑉𝑉𝑚𝑚 = 𝐻𝐻𝐿𝐿 𝑚𝑚 𝐿𝐿𝑚𝑚+1 − 𝐻𝐻𝐵𝐵 𝐵𝐵 + 𝑄𝑄𝐵𝐵
 For each plate m =1 to M (right below the feed plate)
B is calculated by adding the bi. HVm, HLm+1 and HB are
calculated from thermodynamic models. QB is a known
operating condition. Hence Vm and Lm+1 can be solved.

 Similar procedure for the rectifying section

• Repeat the procedures until T- and V-profiles converge
Thiele-Geddes Method—
Example
T-G method usually starts with adopting FUG shortcut method for preliminary design

Perry’s handbook (Example 1, p13-36, FUG shortcut

method)
To design a butane-pentane splitting
column with following conditions:
• Maximum top-vapour capacity of 1.75 times the feed
flow rate
• Operating pressure of 120 psia
• Feed at bubble point (q=1)
• Distillate product: < 7 mol.% i-C5
• Bottom product: < 3 mol.% n-C4
• Distillate rate (D/F): 0.489
• Feed bubble point temperature: 358 K
• N = 10, feed at the middle plate
Thiele-Geddes Method —
Example (cont’d)
Perry’s handbook (Example 3, p13-40, T-G rigorous method)
T-G method: From distillate to feed plate calculation

T-G method: From bottom to feed plate calculation

Thiele-Geddes Method — Tutorial

Excel spreadsheet solution on Moodle DCD3 lecture notes folder

 Sum-Rates method —
A tridiagonal matrix algorithm (TDMA)
method
What is a tridiagonal matrix?
• In linear algebra, a tridiagonal matrix is a band matrix that has nonzero elements only
on the main diagonal, the first lower diagonal, and the first upper diagonal. It can
be solved by Thomas algorithm (Gaussian-elimination procedure)

This matrix can

be written as: 𝐴𝐴𝑖𝑖 𝑥𝑥𝑖𝑖−1 + 𝐵𝐵𝑖𝑖 𝑥𝑥𝑖𝑖 + 𝐶𝐶𝑖𝑖 𝑥𝑥𝑖𝑖+1 = 𝐷𝐷𝑖𝑖

Forward elimination

Backward
substitution

𝐶𝐶𝑖𝑖 𝐷𝐷𝑖𝑖 − 𝐴𝐴𝑖𝑖 𝑞𝑞𝑖𝑖−1

𝑝𝑝𝑖𝑖 = 𝑞𝑞𝑖𝑖 = 𝑥𝑥𝑖𝑖−1 = 𝑞𝑞𝑖𝑖−1 − 𝑝𝑝𝑖𝑖−1 𝑥𝑥𝑖𝑖 = 𝑟𝑟𝑖𝑖−1
𝐵𝐵𝑖𝑖 − 𝐴𝐴𝑖𝑖 𝑝𝑝𝑖𝑖−1 𝐵𝐵𝑖𝑖 − 𝐴𝐴𝑖𝑖 𝑝𝑝𝑖𝑖−1

𝑥𝑥𝑖𝑖 = 𝑞𝑞𝑖𝑖 − 𝑝𝑝𝑖𝑖 𝑥𝑥𝑖𝑖+1

Forward elimination — Example
3𝑥𝑥1 − 𝑥𝑥2 + 0𝑥𝑥3 = −1
3 −1 0 𝑥𝑥1 −1
−𝑥𝑥1 + 3𝑥𝑥2 − 𝑥𝑥3 = 7 −1 𝑥𝑥
3 −1 2 = 7
0 −1 3 𝑥𝑥3 7
0𝑥𝑥1 − 𝑥𝑥2 + 3𝑥𝑥3 = 7

Row 1: 3𝑥𝑥1 − 𝑥𝑥2 = −1

1 1 1 𝑝𝑝1 0 𝑥𝑥1 𝑞𝑞1
Divide this equation by a1: 𝑥𝑥1 − 𝑥𝑥2 = −
−1 3 𝑥𝑥
−1 2 = 7
3 3
1 1 0 −1 3 𝑥𝑥3 7
𝑝𝑝1 = − 𝑞𝑞1 = −
3 3

Row 2: −𝑥𝑥1 + 3𝑥𝑥2 − 𝑥𝑥3 = 7

1 𝑝𝑝1 0 𝑥𝑥1 𝑞𝑞1
Multiply a2 in Row 1 and 𝑥𝑥2 − 0.375𝑥𝑥3 = 2.5 0 1 𝑝𝑝2 𝑥𝑥2 = 𝑞𝑞2
0 −1 3 𝑥𝑥3 7
eliminating x1 in Row 2:
−1 7 + 𝑞𝑞1
𝑝𝑝2 = = −0.375 𝑞𝑞2 = = 2.5
3 + 𝑝𝑝1 3 + 𝑝𝑝1

Row 3: 0𝑥𝑥1 − 𝑥𝑥2 + 3𝑥𝑥3 = 7

7 + 𝑞𝑞2 1 𝑝𝑝1 0 𝑥𝑥1 𝑞𝑞1

Multiply a3 in Row 1 and 𝑥𝑥3 = = 3.619 0 1 𝑝𝑝2 𝑥𝑥2 = 𝑞𝑞2
eliminating x2 in Row 3: 3 + 𝑝𝑝2
0 0 1 𝑥𝑥3 𝑞𝑞3
7 + 𝑞𝑞2
𝑞𝑞3 = = 3.619
3 + 𝑝𝑝2
Backward substitution — Example
3𝑥𝑥1 − 𝑥𝑥2 + 0𝑥𝑥3 = −1
3 −1 0 𝑥𝑥1 −1
−𝑥𝑥1 + 3𝑥𝑥2 − 𝑥𝑥3 = 7 −1 3 −1 𝑥𝑥2 = 7
0𝑥𝑥1 − 𝑥𝑥2 + 3𝑥𝑥3 = 7 0 −1 3 𝑥𝑥3 7

1 𝑝𝑝1 0 𝑥𝑥1 𝑞𝑞1

0 1 𝑝𝑝2 𝑥𝑥2 = 𝑞𝑞2
0 0 1 𝑥𝑥3 𝑞𝑞3

Row 2 Substituting:
𝑥𝑥2 + 𝑝𝑝2 𝑥𝑥3 = 𝑞𝑞2 𝑞𝑞2 = 2.5 𝑥𝑥2 = 3.857
𝑥𝑥2 = 𝑞𝑞2 − 𝑝𝑝2 𝑥𝑥3 𝑝𝑝2 = −0.375
𝑥𝑥1 = 0.952
Row 1 Substituting: 𝑥𝑥2 = 3.857
𝑥𝑥3 = 3.619
𝑥𝑥1 + 𝑝𝑝1 𝑥𝑥2 = 𝑞𝑞1 𝑞𝑞1 = −0.333 𝑥𝑥1 = 0.952
𝑥𝑥1 = 𝑞𝑞1 − 𝑝𝑝1 𝑥𝑥2 𝑝𝑝1 = −0.333
TDMA Method — Principles
Component mass balance:
𝐿𝐿𝑗𝑗−1 𝑥𝑥𝑖𝑖,𝑗𝑗−1 + 𝑉𝑉𝑗𝑗+1 𝑦𝑦𝑖𝑖,𝑗𝑗+1 + 𝐹𝐹𝑗𝑗 𝑧𝑧𝑖𝑖,𝑗𝑗 − 𝐿𝐿𝑗𝑗 + 𝑈𝑈𝑗𝑗 𝑥𝑥𝑖𝑖,𝑗𝑗 − 𝑉𝑉𝑗𝑗 + 𝑊𝑊𝑗𝑗 𝑦𝑦𝑖𝑖,𝑗𝑗 = 0

Overall mass balance: Vapour-liquid equilibrium:

𝑗𝑗
𝑦𝑦𝑖𝑖,𝑗𝑗 = 𝐾𝐾𝑖𝑖,𝑗𝑗 𝑥𝑥𝑖𝑖,𝑗𝑗
𝐿𝐿𝑗𝑗 = 𝑉𝑉𝑗𝑗+1 + � 𝐹𝐹𝑚𝑚 − 𝑈𝑈𝑚𝑚 − 𝑊𝑊𝑚𝑚 − 𝑉𝑉1
𝑚𝑚=1

𝑗𝑗−1

𝐴𝐴𝑗𝑗 = 𝑉𝑉𝑗𝑗 + � 𝐹𝐹𝑚𝑚 − 𝑊𝑊𝑚𝑚 − 𝑈𝑈𝑚𝑚 − 𝑉𝑉1 2 ≤ 𝑗𝑗 ≤ 𝑁𝑁

𝑚𝑚=1

𝑗𝑗

𝐵𝐵𝑗𝑗 = − 𝑉𝑉𝑗𝑗+1 + � 𝐹𝐹𝑚𝑚 − 𝑊𝑊𝑚𝑚 − 𝑈𝑈𝑚𝑚 − 𝑉𝑉1 + 𝑈𝑈𝑗𝑗 + 𝑉𝑉𝑗𝑗 + 𝑊𝑊𝑗𝑗 𝐾𝐾𝑖𝑖,𝑗𝑗 1 ≤ 𝑗𝑗 ≤ 𝑁𝑁
𝐴𝐴𝑗𝑗 𝑥𝑥𝑖𝑖,𝑗𝑗−1 + 𝐵𝐵𝑗𝑗 𝑥𝑥𝑖𝑖,𝑗𝑗 + 𝐶𝐶𝑗𝑗 𝑥𝑥𝑖𝑖,𝑗𝑗+1 = 𝐷𝐷𝑗𝑗 𝑚𝑚=1

𝐶𝐶𝑗𝑗 = 𝑉𝑉𝑗𝑗+1 𝐾𝐾𝑖𝑖,𝑗𝑗+1 1 ≤ 𝑗𝑗 ≤ 𝑁𝑁 − 1

𝐷𝐷𝑗𝑗 = −𝐹𝐹𝑗𝑗 𝑧𝑧𝑖𝑖,𝑗𝑗 1 ≤ 𝑗𝑗 ≤ 𝑁𝑁

TDMA Method — Principles (cont’d)
Sum-Rates Method —
Overall procedure
For the sum-rates method, the stages are
numbered from top to bottom, i.e., the
condenser will be Stage 1 and the reboiler
Stage N.
Step 1
• Assume T-profile
• Assume L-profile
• Assume V-profile
Sum-Rates Method — Overall
procedure (cont’d)
Iteration starts
Step 2
• Calculate x-profile
For each component i
For each stage j
Set up tridiagonal equation

Material balance around plate j for each component (component subscript i dropped for
simplicity, subscript refer to stage number, counting stages from top to bottom):
𝐿𝐿𝑗𝑗 𝑥𝑥𝑗𝑗 + 𝑉𝑉𝑗𝑗 𝑦𝑦𝑗𝑗 + 𝑜𝑜𝑜𝑜𝑜𝑜𝑜𝑜𝑜𝑜𝑜𝑜𝑜𝑜 = 𝐿𝐿𝑗𝑗−1 𝑥𝑥𝑗𝑗−1 + 𝑉𝑉𝑗𝑗+1 𝑦𝑦𝑗𝑗+1 + 𝑖𝑖𝑖𝑖𝑓𝑓𝑓𝑓𝑓𝑓𝑓𝑓
Eliminate y by using vapour-liquid equilibrium relation to obtain:
−𝐿𝐿𝑗𝑗−1 𝑥𝑥𝑗𝑗−1 + 𝐿𝐿𝑗𝑗 + 𝑉𝑉𝑗𝑗 𝐾𝐾𝑗𝑗 𝑥𝑥𝑗𝑗 − 𝑉𝑉𝑗𝑗+1 𝐾𝐾𝑗𝑗+1 𝑥𝑥𝑗𝑗+1 = 𝑖𝑖𝑖𝑖𝑖𝑖𝑖𝑖𝑖𝑖𝑖𝑖 − 𝑜𝑜𝑜𝑜𝑜𝑜𝑜𝑜𝑜𝑜𝑜𝑜𝑜𝑜

End loop
Solve for xi,j by TDMA The obtained x-values might
End loop not generally sum to 1
Sum-Rates Method —
Overall procedure (cont’d)
Step 3
• Calculate L & V-profiles
For each stage j
Correct the total liquid flow:
𝑐𝑐

𝐿𝐿𝑗𝑗 𝑐𝑐𝑐𝑐𝑐𝑐𝑐𝑐𝑐𝑐𝑐𝑐𝑐𝑐𝑐𝑐𝑐𝑐 = 𝐿𝐿𝑗𝑗 � 𝑥𝑥𝑖𝑖,𝑗𝑗 “SUM-RATES”

𝑖𝑖=1

Calculate Vj+1 by material balance, going down from the top

(j=1), applying material balance around stage j
𝑉𝑉𝑗𝑗+1 = 𝑉𝑉𝑗𝑗 + 𝐿𝐿𝑗𝑗 − 𝐿𝐿𝑗𝑗−1
End loop
Sum-Rates Method — Overall
procedure (cont’d)
Step 4
• Re-calculate x & y-profiles
For each component i
For each stage j
Normalise xi,j, this is to ensure that the mole fractions sum to 1, for each stage
and each component:
𝑥𝑥𝑖𝑖,𝑗𝑗
𝑥𝑥𝑖𝑖,𝑗𝑗 𝑐𝑐𝑐𝑐𝑐𝑐𝑐𝑐𝑐𝑐𝑐𝑐𝑐𝑐𝑐𝑐𝑐𝑐 =
∑𝑐𝑐𝑖𝑖=1 𝑥𝑥𝑖𝑖,𝑗𝑗
Calculate yi,j from equilibrium: 𝑦𝑦𝑖𝑖,𝑗𝑗 = 𝐾𝐾𝑖𝑖,𝑗𝑗 𝑥𝑥𝑖𝑖,𝑗𝑗

End loop
End loop After normalisation of x and y, the vapour-liquid
Normalise yi,j equilibrium might no longer hold.

Steps 3 & 4 will keep the component flows unchanged, since the total liquid flow is increased by
∑ 𝑥𝑥𝑖𝑖 while the mole fractions are decreased by the same factor. The component vapour flows will
therefore also be unchanged by material balance.
Sum-Rates Method — Overall
procedure (cont’d)
Step 5
• Calculate T-profiles
For each stage j
Calculate Tj by energy balance, energy balance around stage j:
𝑉𝑉𝑗𝑗+1 𝐻𝐻𝑉𝑉𝑗𝑗+1 + 𝐿𝐿𝑗𝑗−1 𝐻𝐻𝐿𝐿𝑗𝑗−1 = 𝑉𝑉𝑗𝑗 𝐻𝐻𝑉𝑉𝑗𝑗 + 𝐿𝐿𝑗𝑗 𝐻𝐻𝐿𝐿𝑗𝑗

where the liquid enthalpies HL and vapour liquid enthalpies HV are functions
of T and composition. Since compositions are known, T is the only unknown
and T can be solved iteratively (by Newton-Raphson method).

Repeat iteration until the T-profile converge

End loop
Sum-Rates Method — Tutorial
Sum-Rates Method — Tutorial example
1. Sort out the overall
mass balance in each
Partial
stage
1 condenser
D = F – B = 100 – 60 = 40
V2 = 120 + 40 = 160 L1 = R * D = 3 * 40 = 120 V1 = D = 40

2
F = 100 L2 = 120
B = 60 F = 100
R = L/D = 3 V3 = 160

3
V4 = 220 - 60 = 1 60 L3 = 120 + 100 = 220

Reboiler 4
Excel spreadsheet solution on Moodle
B = 60 DCD3 lecture notes folder
L4 = B = 60
Other rigorous methods and comparison
Name Type Tool required Remarks
Lewis-Matheson Design Excel Fail to converge sometimes
(LM)
Thiele-Geddes Rating Excel Numerically unstable
(TG)
Bubble-Point (BP) Rating Computer Restricted to distillation problems
involving narrow-boiling feed mixture
Sum-Rates (SR) Rating Computer Restricted to absorption and stripping
problems
involving wide-boiling feed mixture
Inside-Out Rating Computer Algorithm for Aspen RadFrac
Simultaneous Rating Computer Fail to converge sometimes, but widely used
Correction (NR)

• Homotopy-Continuation methods
• Rate-based methods
See Seader & Henley Chapter 10, and Perry’s p.13-39 ~ 13-54 for details
Aspen Plus simulation for rigorous
distillation column calculation
 After this lecture, you should be able to:
1. Understand techniques that define the relationship between the
stages in a DC!
 Utilise Thiele-Geddes method to calculate vapour and liquid compositions in
each stage of a distillation column (at least the first iteration)

 Understand the sum-rates method principles, calculate and tabulate the

elements of the tridiagonal matrix equation relating the stage composition

2. Apply appropriate methods to provide a good starting estimate for

your simulator

Tutorial: 5 questions, see Moodle DCD3 Tutorial