CHNG2806-9206

Separation Processes

Week 2: Distillation
Introduction and Flash
Calculations

Dr David Wang

Prepared by
Dr Amirali Ebrahimi Ghadi
School of Chemical and Biomolecular Engineering
Faculty of Engineering and IT

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 Textbook and Reference

– Separation Process Principles

– Chapter 2: Thermodynamics of Separation Operations
– Chapter 4: Single Equilibrium Stages and Flash Calculations

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 Distillation column – 4 streams

Distillate Stream
Feed Stream Distillate Stream Liquid product stream rich in
Liquid or vapour or a mixture the lighter (more volatile)
of the two. The feed to a components.
column is usually in the range
between a saturated liquid (ie
liquid at its boiling or bubble Reflux Stream
point) and a saturated vapour Reflux Stream Liquid stream (with the same
(ie vapour at its dew point). composition as the distillate)
Feed
returned to the column. The
The thermal condition of the amount of reflux strongly affects
feed and the position of the separation performance.
feed plate both affect column
performance.

Bottoms Stream
Liquid product stream rich in the
Video Bottoms Stream heavier (less volatile) components.

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 How does distillation work?

– Relies on the fact:

– Light materials (more volatile) prefers to be in vapour phase
– Heavy materials (less volatile) prefers to be in liquid phase
– Phase equilibrium is the key concept of distillation

The streams LIN and VIN LIN VOUT The streams LOUT and
are not in equilibrium VOUT should be as
with each other. Plate close as possible to
being in equilibrium

LOUT VIN

– All plates can only operate effectively over a range of liquid

and vapour flow combinations. For example, with sieve trays:
– Too little vapour flow up and the liquid ‘weeps’ through the holes;
– Too much vapour flow and the tray ‘floods’.

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 The TOP tray in the column

Vapour phase Liquid phase

contains relatively little is rich in light material
heavy material

Any heavies condense Heat from condensing

(giving up their heat of heavies allows lights to
condensation). vaporise.
TOP TRAY

The net result is:

Vapour phase is enriched (ie purified) by the removal of heavy (less
volatile) components (enriching)
meanwhile
Liquid phase carries down heavy material as internal liquid stream
in the column.

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 The BOTTOM tray in the column

Vapour phase Liquid phase

contains relatively little Rich in heavy materials
light material.

Any heavies condense Heat from condensing

(giving up their heat of heavies allows any
condensation). BOTTOM TRAY residual lights to vaporise.

The net result is:

Liquid phase is enriched (ie purified) by the removal of light (more
volatile) components (stripping)
meanwhile
Vapour phase carries up light material as internal vapour stream in
the column.

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 The FEED tray in the column

Depending on thermo-condition of
LIN VOUT
the feed, liquid, vapour, partially
Feed Plate vapourised.
To differentiate mass flows above
and below feed plates
LOUT VIN write Lout as 𝐿𝐿� and VIN as 𝑉𝑉�

Saturated liquid Lout > Lin More liquid in the stripping section below feed plate
Saturated vapour Vout>Vin More vapour in the rectifying (enriching) section
above feed plate
Partially vapourised most commonly used feed condition

Consider:
1. Feed is too cold
2. Feed is too hot
3. Pressure of feed is too high

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Flash
K-values and stream enthalpies
– Single-equilibrium-stage distillation process are not counted as variables

for a C-component feed Flow Variables (3C+10)

Feed F ; zi ; TF ; PF ; hF
Vapour V; yi ; TV ; PV ; hV
Liquid L; xi ; TL ; PL ; hL
Heat Q

– AKA: equilibrium distillation Feed

– “Flash”: fluid stream undergo a sudden
pressure reduction (what will happen?)
– What will achieve:
– A vapour: richer in lighter components
– A liquid： richer in heavier components

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Isothermal and Adiabatic Flash
P1

Isothermal
Pxy @ T1 = T2
P2

x or y

T1

Adiabatic T2

Txy @ P2

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 Flash calculation
– Equations for a single stage flash of a C-component feed

Equation Eq.No. Describe:

1 PV = PL 1 Mechanical equilibrium
2 TV = TL 1 Thermal equilibrium
3 yi = K i xi C Phase equilibrium
4 Fzi = Vyi + Lxi C ith component material balance
5 F =V + L 1 Total material balance
6 hF F + Q = hV V + hL L 1 Energy balance
7 ∑ y −∑ x
i i i i =0 1 Summation

Totally we have 2C+5 equations

Thermodynamic state equations
K i = K i {TV , PV , y, x} hV = hV {TV , PV , y}
hF = hF {TF , PF , z} hL = hL {TL , PL , x}
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 Flash calculation

– Use equations to determine variables

3C+10 variables 2C+5 equations (Can we get a solution?)
F, V, L, zi, yi, xi, TF, TV , TL, PF, V, PL, Q

– For a given Feed: F, TF, PF and zi are defined (C+3)

– Need to specify 2 more variables
(TV , PV) or (TL , PL) Isothermal flash
V/F=0, PL Bubble-point temperature
V/F=1, PV Dew-point temperature
TL, V/F=0 Bubble-point pressure
TV, V/F=1 Dew-point pressure
Q=0, PV Adiabatic flash
Q, PV Non-adiabatic flash
V/F, PV Percent vaporisation flash
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 Isothermal flash calculation
– T and P are specified: constant T
– Material balance of component i

F zi = V yi + L xi Nonlinear equation!

– Total material balance

F = L +V (Remember definition of Ki=yi/xi )
– Substitute and rearrange: Rachford-Rice Equation (1952)
𝐶𝐶
𝑍𝑍𝑖𝑖 (1 − 𝐾𝐾𝑖𝑖 )
𝑓𝑓 𝜓𝜓 = � = 0 Eq 2.1
1 + 𝜓𝜓(𝐾𝐾𝑖𝑖 − 1)
𝑖𝑖=1
𝜓𝜓= V/F
𝑍𝑍𝑖𝑖
𝑥𝑥𝑖𝑖 = Eq 2.2
1 + 𝜓𝜓(𝐾𝐾𝑖𝑖 − 1)

𝑍𝑍𝑖𝑖 𝐾𝐾𝑖𝑖
𝑦𝑦𝑖𝑖 = = 𝑥𝑥𝑖𝑖 𝐾𝐾𝑖𝑖 Eq 2.3
1 + 𝜓𝜓(𝐾𝐾𝑖𝑖 − 1)

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 Isothermal flash calculation

– Typical calculation for isothermal flash of a feed (F, T, P & zi)

– Step 1. Calculate Ki (use which equation?)
– Step 2. Guess a vapour fraction (𝜓𝜓 or V/F)
– Step 3. Iteration
𝐶𝐶
𝑍𝑍𝑖𝑖 (1 − 𝐾𝐾𝑖𝑖 )
𝑓𝑓 𝜓𝜓 = � = 0 Eq 2.1
1 + 𝜓𝜓(𝐾𝐾𝑖𝑖 − 1)
𝑖𝑖=1

Calculate Sum of Yes Keep V/F

Calculate Ki Guess 𝜓𝜓
Eq. (1) 𝑓𝑓 𝜓𝜓 =0? Get xi, yi

No

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 Feasibility of a flash

Feed
Need to check if a flash is feasible by assessing
K-values and T
– If all K-values are > 1, the phase is
superheated vapour, T > Td
– If all K-values are < 1, the single phase is a
subcooled liquid, T < Tb

– If one or more K-values are greater than 1 and one or more K-values are
less than 1, the check is made by computing f(𝜓𝜓):
– f(0) > 0, the mixture is below its bubble point (subcooled liquid)
– f(1) < 0, the mixture is above the dew point (superheated vapour)
– The Rachford–Rice procedure may fail to converge if K-values are
sensitive to composition.

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 Feasibility of a flash
– Ki is a function of T, in the feed we assume:
1. Flash T is Tb (bubble point), ∑ 𝑧𝑧𝑖𝑖 𝐾𝐾𝑖𝑖 = 1 Feed
2. Flash T is Td (dew point), ∑ 𝑧𝑧𝑖𝑖�𝐾𝐾𝑖𝑖 = 1
– To allow flash take place: Tb < T < Td
– Both ∑ 𝑧𝑧𝑖𝑖 𝐾𝐾𝑖𝑖 > 1 and ∑ 𝑧𝑧𝑖𝑖�𝐾𝐾𝑖𝑖 > 1 should be valid
– What are the condition of feed if:
1. ∑ 𝑧𝑧𝑖𝑖 𝐾𝐾𝑖𝑖 < 1 T < Tb, subcooled liquid
2. ∑ 𝑧𝑧𝑖𝑖�𝐾𝐾𝑖𝑖 < 1 T > Td, superheated vapour
3. ∑ 𝑧𝑧𝑖𝑖 𝐾𝐾𝑖𝑖 = 1
4. ∑ 𝑧𝑧𝑖𝑖 /𝐾𝐾𝑖𝑖 = 1
At bubble point: 𝜓𝜓 =0
𝑓𝑓 0 = � 𝑍𝑍𝑖𝑖 1 − 𝐾𝐾𝑖𝑖 = � 𝑍𝑍𝑖𝑖 − � 𝑍𝑍𝑖𝑖 𝐾𝐾𝑖𝑖 = 0
𝑖𝑖 𝑖𝑖 𝑖𝑖
∑𝑖𝑖 𝑍𝑍𝑖𝑖 = 1, so ∑𝑖𝑖 𝑍𝑍𝑖𝑖 𝐾𝐾𝑖𝑖 =1
At dew point: 𝜓𝜓 =1
𝑍𝑍𝑖𝑖 1 − 𝐾𝐾𝑖𝑖 𝑍𝑍𝑖𝑖
𝑓𝑓 1 = � = � − � 𝑍𝑍𝑖𝑖 = 0
𝐾𝐾𝑖𝑖 𝐾𝐾𝑖𝑖
𝑖𝑖 𝑖𝑖 𝑖𝑖
𝑍𝑍𝑖𝑖
∑𝑖𝑖 =1
𝐾𝐾𝑖𝑖

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 Isothermal flash calculation - example
A 100-kmol/h feed consisting of 10, 20, 30, and 40 mol% of propane (1), n-butane (2),
n-pentane (3), and n-hexane (4), respectively, enters a distillation column at 100 psia
(689.5 kPa) and 200F (366.5K). Assuming equilibrium and constant temperature, what
fraction of the feed enters as liquid, and what are the liquid and vapour compositions?
(assuming ideal gas/liquid mixture)
Solution The feed mixture composition is:
z1 = 0.1; z2= 0.2; z3 = 0.3 ; z4 = 0.4
Raoult’s law is applicable: Ki= pi* (T)/P (why)
Find Antoine parameters of the components at T = 366.5K and P= 689.5 kPa gives:
K1 = 4.2, K2 = 1.75, K3 = 0.74, K4 = 0.34
Because some K-values are greater than 1 and some less than 1, it is necessary first
to compute values of f(0) and f(1) for eq 2.1 to see if the mixture is between the
bubble and dew points:
f(0) = - 0.128 is not above zero so the mixture is above the bubble point
f(1) = 0.720 is not below zero so the mixture is below the dew point
zi and Ki are known, Rachford-Rice equation (eq 2.1) can be solved numerically
Vapour split V/F = 0.1219
Results:
Liquid composition: x1 = 0.0719, x2 = 0.1833, x3 = 0.3098, x4 = 0.4350
Vapour composition: y1 = 0.3021, y2 = 0.3207, y3 = 0.2293, y4 = 0.1479
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 Adiabatic flash calculation

– Q=0, PV : adiabatic flash

– Material balance of component i

F zi = V yi + L xi Nonlinear equation!
– Total material balance

F = L +V
– Substitute and rearrange:
𝐶𝐶
𝑍𝑍𝑖𝑖 (1 − 𝐾𝐾𝑖𝑖 )
𝑓𝑓 𝑇𝑇 = � = 0 Eq 2.4
1 + 𝜓𝜓(𝐾𝐾𝑖𝑖 − 1)
𝑖𝑖=1

– Two unknown parameters: 𝜓𝜓 and Ki which depend on T (unknown)

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 Adiabatic flash calculation

– For all components:

𝑄𝑄 = ∆𝐻𝐻 = ℎ𝑣𝑣 𝑉𝑉 + ℎ𝐿𝐿 𝐿𝐿 − ℎ𝐹𝐹 F = 0

– Divide by F and substitute L/F = 1 - V/F to give:

𝜓𝜓ℎ𝑣𝑣 + 1 − 𝜓𝜓 ℎ𝐿𝐿 − ℎ𝐹𝐹
𝜓𝜓= V/F 𝑓𝑓 𝜓𝜓 = = 0 Eq 2.7
1000
where division by 1,000 makes the terms of the order 1
From eq. 2.7 we have:
ℎ𝐹𝐹 − ℎ𝐿𝐿
𝜓𝜓 = Eq 2.8
ℎ𝑣𝑣 − ℎ𝐿𝐿

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 Adiabatic flash calculation
Typical calculation for adiabatic flash of a feed (F, P & zi)
– Step 1. Guess a vapour fraction (V/F, 𝜓𝜓) for outer-loop iteration on
𝜓𝜓. For initial guess, use (V/F) = 0.5
– Step 2. Guess a T for inner-loop iteration on T based on the guessed
𝜓𝜓 𝐶𝐶
𝑍𝑍𝑖𝑖 (1 − 𝐾𝐾𝑖𝑖 )
– Step 3. Calculate Ki for the guessed T
𝑓𝑓 𝑇𝑇 = � =0
1 + 𝜓𝜓(𝐾𝐾𝑖𝑖 − 1)
𝑖𝑖=1 eq 2.4
– Step 4. Use eq. 2.4 to check the validity of T
– Step 5. Repeat the inner-loop iteration until the T satisfies eq 2.4
– Step 6. Use eqs. 2.2 and 2.3 to calculate xi and yi 𝜓𝜓 =
ℎ𝐹𝐹 − ℎ𝐿𝐿
– Step 7. Use eqs. 2.5 and 2.6 to calculate hL and hV with hF = 0 ℎ𝑣𝑣 − ℎ𝐿𝐿
eq 2.8
– Step 8. Use eq. 2.8 to check the validity of 𝜓𝜓
– Step 9. Repeat the outer-loop iteration with a new value of 𝜓𝜓 from
eq. 2.8. It means the inner-loop iteration on T also needs to be
performed (steps 2-5).

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 Summary

– Single equilibrium staged separations are the simplest

form of separations
– To solve single stage problems, you would need
– 1. Overall material balance
– 2. Component balance
– 3. Equilibrium relationships
– 4. Energy balance
– Remember: The STREAMS LEAVING the stage are in
equilibrium with each other
– The single equilibrium stage can be used for various
separations

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