Problem formulation for

optimization
Dr. senthilmurugan S,
Chemical Engineering Department,
IIT Guwahati.
Optimization problem
formulation
• Derived goal of the optimization problem
• I.e. objective function and decision variables
• Derive model equations
• Material balance, energy balance, momentum balance etc.
• Identification of constraints
• Identify feasible region ( by under standing process know
how?)
• Identify bounds for decision variable
• Estimate lower and upper bounds from process constraints
( consider forward and reverse scenarios)

Sunday, April 10, 2022 CL615 Optimization 2

Tips to formulated the objective
function and decision variable
• Maximization of profit, by optimizing raw material
selection, equipment sizing, etc.
• Minimization of loss
• Minimization of energy consumption for given process
• Minimization of operating cost
• Maximization of equipment lifecycle
• Minimizing safety risk
• Minimize startup time of equipment
• Minimize start cost of process
• Minimize startup and shutdown cost
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Derive model equation &
Identification of constraints
• Material and Heat Balance
• input – output – loss + gain = accumulation
• Deriving loss and gain term
• Model simplification to achieve analytical solution
• Constraints and bounds for decision variables
• Product quality constraints, pore size, surface thickness etc.
• Operational constraints, pressure, temperature
• Safety constraints, maximum number people can work unit
time
• Raw material availability, sessional availability of raw
material
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Optimal production

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Example: Maximize operating
profit of process

x4

x2

x5

x3

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Example: Objective function

Objective function

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Model Equation: Mass Balance

(redundant equation) x4

x2

x5

x3

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Constraints

Additional constraints from product selling

0 ≤ x8 ≤ market demand

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 Example: Optimization of
Reverse osmosis plant SEC
High Pressure (HP) Product Water
Pump Reverse Osmosis
Membrane Train
Pretreated Objective
Sea water Energy recovery
Maximize profit
Feed Sea
Water
Minimize SEC* Maximize Decision variables
Booster Pump Membrane surface Area
Energy Recovery
Device (ERD)
Constraints
Product TDS < limit
Source: A. Murray Thomson ,Phd Thesis Reject Water
Loughborough University June 2003

Motor loss Membrane loss

Pump loss

Loss in Energy ERD

recovery

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 Process Model P= Power (kW)
QF = permeate flow (m3/h)
High Pressure (HP)
Product Water ρ = Density of fluid (kg/m3)
Pump QHP=QP Reverse Osmosis
g = Gravity (9.81 m/s2)
Membrane Train QP
∆H = Differential head (m)
CE= Energy cost Rs/Kwh
Energy recovery
Feed Sea
Minimize SEC* Maximize ERD= ERD leakage > 1
Water
Booster Pump
R = Recovery ration between
Energy Recovery feed to product
Device (ERD) HP= HP pump efficiency
Reject water
QBP= ERD*QR QR BP = Booster pump efficiency
Reject Water PF = Feed pressure
Power consumption
Loughborough University JuneHP
2003 pump = ρ g Q
HP∆H/(HP *3.6 *10 )
Source: A. Murray Thomson ,Phd Thesis 6
∆P = Differential pressure
between feed and reject
Power consumption BP pump = ρ g QBP∆H/(HP *3.6 *106) C0S= osmotic constant
CF= feed concentration (ppm)
QBP= ERD*QR = ERDQF(1-R) Where; QP=QF*R, QF=QP+QR= QBP + QHP
Motor loss Membrane loss
JV=flux m3/m2/s
Pump loss
QHP=QP – (1-ERD) (QF-QP) = QF(2R-1+ ERD(1-R)) A= membrane permeability
(m3/m2/s/Pa)
QP= JV*S Loss inJEnergy R= QP/QF Ck=constant mass transfer
V=A*(PF –(CosCF(exp(JV/(Ck*(QR)^0.5)-0.0001)
ERD
recovery
Objective function
SEC= ( ρ g /3.6 *106)*((QF(2R-1+ ERD(1-R)) PF /HP) + (ERDQF(1-R)∆P/HP))/QP
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Model Output
HP= HP pump efficiency = 0.7 ERD= ERD leakage = 1.001
BP = Booster pump efficiency = 0.7 COS= 85.43352 m3/Pa/g
PF = Feed pressure = 34 - 78 bar = 350 - 800 m CF=35000 ppm
QF = 10 m3/hr =1000 kg/m3
∆P = Differential pressure between feed and reject = 4 bar = 40.8 m g = 8.314 m/s2
R = Flow recovery ratio between feed and product = 0.1 to 0.7

5.5 SEC Vs Recovery

5 Qf=11
4.5 Qf=10
SEC Kw/m3

4 QF=9
3.5
3
2.5
2
0.00 0.20 0.40 0.60 0.80 1.00
R

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Constraints
• 0<R<0.6 to over come fouling issues
• PF<70 Bar to over pump vibration issues and system
pressure limit
• QP≥10 m3/hr to meet the demand and supply

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Optimal design Min Capital
cost • Both ends are closed and flat.

2
• The vessel walls (sides and ends) are of constant

𝜋𝐷
thickness t with density p, and the wall thickness
is not a function of pressure.
• The cost of fabrication and material is the same
for both the sides and ends, and is S (dollars per

min 𝐶=𝜋𝐷𝐿+
unit weight).
• There is no wasted material during fabrication
due to the available width of metal plate.

2
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D

15
 Redefine the assumptions

(1)Dished ends (not flat) 2: 1 ellipsoidal heads

Ae = 2(1.16 D2) = 2.32 D2
(2)Thickness is a function of D (not constant)
(3)Fabrication costs $ ends > $ sides
(1.5x)
L
D

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Objective function

𝑑𝑓7 𝑉 2
= 0=−0.5 2 +0.6082 𝐷+0.0789 𝐷
𝑑𝐷 𝐷

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Example: Single tank level
prediction
Dynamic Mass balance

Valve behaves like orifice

How to estimate Cd (discharge coefficient)

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Two tank level prediction
Tank 1 material balance

Tank 2 material balance

How to estimate Cdb and Cdc?

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Optimization problem formulation -
Estimate valve discharge coefficient
• Steady state parameter
estimation
• Measure steady state
tank head by varying
inlet flow rate
• Min
• Sub to LB<Cdb> UB and
LB<Cdc>UB
• Model equation
subjected to dH/dt=0
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• Unsteady steady state
parameter estimation
• Measure unsteady state
tank head with time for
constant inlet flow
• Min
• Sub to LB<Cdb> UB and
LB<Cdc>UB
• Model equation
20
How to include value of money
on objective functions
• Estimation optimal return for investment
• Investment amount for construction of chemical unit 5,00,000 Rs.
Duration of construction one year
• Will you pay whole amount at start of the project? How much to pay at start
of the project ?
• Will you pay in instalment? if so how much per installment ?, and how many
instalment
• The economic analysis of projects that incur income and expense
over time should include the concept of the time value of money.
This concept means that a unit of money (dollar, yen, euro, etc.) on
hand now is worth more than the same unit of money in the future.
Why? Because Rs 1000 invested today can earn additional Rs by
interest / return etc; in other words, the value of INR1000 received
in the future will be less than the present value of Rs1000.

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Estimation of money value
t = 1 year F1 = P ( 1 + i )

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Estimation of money value

Present Worth Factor, Repayment multiplier, Capital Recovery Factor

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Repayment multiplier

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Estimation of money value

If the interest is
calculated continuously, Sinking fund
rather than periodically deposit factor
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Example: Paying off a loan

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Measure of profit
• Payback Period (PBP)
• Return on Investment (ROI)
• Net present value (NPV).
• Internal rate of return (IRR). NPV=investment
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Rt = net cash flow at time t
I = discount rate
T = time of the cash flow
then
C =Net cash inflow during the
t period ti= IRR
C0=Total initial investment costs
IRR=The internal rate of return
t=The number of time
CL615 Optimization 27
Significance of NPV and IRR
• If the NPV is positive, the investment increases the company's
assets: The investment is financially attractive.
• If the NPV is zero, the investment does not change the value of
the company's assets: The investment is neutral.
• If the NPV is negative, the investment decreases the company's
assets: The investment is not financially attractive.
• If the IRR is greater than the designated rate of return, the
investment is financially attractive.
• If the IRR is equal to the designated rate of return, the
investment is marginal.
• If the IRR is less than the designated rate of return, the
investment is financially unattractive.
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Significance of NPV and IRR
• Minimizing the payback period (PBP), or
• Maximizing the net present value (NPV), or
• Maximizing the internal rate of return (IRR)
• Subjected to all constraints and bounds

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Sunday, April 10, 2022 CL615 Optimization 30
Sunday, April 10, 2022 CL615 Optimization 31
Capital cost distribution per year 30 % of insulation expense

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Sunday, April 10, 2022 CL615 Optimization 33
 (0.03)

C = - +

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Sunday, April 10, 2022 CL615 Optimization 35
Sunday, April 10, 2022 CL615 Optimization 36
Optimal investment plan

Chart Title
25.0000

20.0000

15.0000

10.0000

5.0000

0.0000
7/15/2015 10/23/2015 1/31/2016 5/10/2016 8/18/2016 11/26/2016

LF SMF EG

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