3.
1 Validation of Model Results
Model validation is an essential step in process modelling and simulation, as it establishes the
accuracy, credibility, and practical relevance of the developed model. Validation involves
comparing model predictions with actual plant operating data to ensure that the governing
equations, assumptions, and thermodynamic frameworks adequately represent real process
behavior.
3.1.1 Validation of Model Results with Plant Data
Model validation is a critical step in process simulation and mathematical modelling, as it
establishes the reliability and practical applicability of the developed model. These include, but
are not limited to, inlet and outlet temperatures, pressures, flow rates, component compositions,
energy duties, and power outputs of rotating equipment such as compressors, expanders, and
turbines.
3.1.2 Selection and Preparation of Plant Data
Plant data used for validation are obtained from historical operating records, design documents,
and real-time plant logs. To ensure consistency between the simulation model and the plant
operation, the selected data correspond to periods of stable plant operation where process
disturbances and transient effects are minimal. Data preprocessing is carried out to eliminate
missing values, outliers, and inconsistent measurements. Where necessary, time-averaged values
are used to represent steady-state [Link] plant data are converted into consistent
engineering units to match the simulation environment. Operating constraints such as feed
composition, operating pressure, temperature, and equipment efficiencies are carefully imposed
in the model to replicate actual plant conditions as closely as possible.
3.1.3 Simulation under Plant Operating Conditions
The developed process model is executed using the same operating conditions as those observed
in the plant. These conditions include feed flow rates, component compositions, pressure levels,
temperature ranges, and equipment specifications. Equipment models such as compressors,
expanders, heat exchangers, distillation columns, and separators are configured using design
equations and correlations consistent with industrial practice.
3.1.4 Comparison of Simulation Results with Plant Data
Model validation is performed by direct comparison of simulated results with plant-measured
data for selected key performance indicators. For each validated variable, the absolute deviation
and percentage deviation between the simulated value and the plant value are computed using:
Absolute deviation = | X model −X plant ∨¿
¿
Percentage deviation = ¿ X model −X plant ∨ X x 100 % ¿
plant
where
X_model represents the value predicted by the simulation model, and
X_plant represents the corresponding measured plant value.
The comparison is presented in tabular and graphical forms to clearly illustrate the level of
agreement between the model predictions and plant data. Trends and patterns observed in the
plant data are also examined to verify that the model accurately captures the physical behavior of
the system.
3.1.5 Acceptance Criteria for Model Validation
The model is considered successfully validated if the percentage deviation between simulated
and plant values for key process variables falls within acceptable engineering limits. In this
study, a deviation range of ±5–10% is considered acceptable, consistent with typical industrial
modeling and simulation standards. Larger deviations, if observed, are analyzed to identify
possible sources such as measurement uncertainty, simplifying assumptions, or equipment
performance degradation in the plant.
3.2 Material and Energy Balance Design Equations of Major Equipments
3.2.1. Compressor Design Equations
Steady-Flow Energy Equation (First Law)
Q̇ − Ẇₛ = ṁ[(h₂ − h₁) + (V₂² − V₁²)/2 + g(z₂ − z₁)]
Where:
Q̇ = rate of heat transfer to the compressor (W)
Ẇₛ = shaft work rate (W)
ṁ = mass flow rate (kg/s)
h₁, h₂ = specific enthalpy at inlet and outlet (J/kg)
V₁, V₂ = fluid velocity at inlet and outlet (m/s)
z₁, z₂ = elevation at inlet and outlet (m)
g = acceleration due to gravity (m/s²)
Neglecting kinetic and potential energy changes
Q̇ − Ẇₛ = ṁ(h₂ − h₁)
Where:
All symbols are as previously defined.
This assumption is valid for most industrial compressors.
Adiabatic compressor (Q̇ ≈ 0)
−Ẇₛ = ṁ (h₂ − h₁)
Where:
The compressor is assumed thermally insulated.
Specific compressor work
w = h₂ − h₁
Where:
w = specific compressor work (J/kg)
Enthalpy–temperature relation (ideal gas)
dh = Cₚ dT
Where:
Cₚ = specific heat capacity at constant pressure (J/kg·K)
T = absolute temperature (K)
Integrated enthalpy change
T2
h₂ − h₁ = ∫ C P dT
T1
Where:
T₁, T₂ = inlet and outlet temperatures (K)
Constant heat-capacity assumption
h₂ − h₁ = Cₚ(T₂ − T₁)
Where:
Cₚ is assumed constant over the temperature range.
Entropy relation for an ideal gas
dT dP
ds = Cₚ( ) − R( )
T P
Where:
s = specific entropy (J/kg·K)
R = universal gas constant (J/kg·K)
P = pressure (Pa)
Isentropic compression (reversible adiabatic)
ds = 0
Where:
Entropy remains constant during ideal compression.
Integrated isentropic temperature–pressure relation
T2 P2
ln( T₂/T₁) = (R/Cₚ) ln( )
T1 P1
Where:
P₁, P₂ = inlet and outlet pressures (Pa)
Isentropic temperature relation
( k−1
k )
( )
T2s P ₂
=
T1 P₁
Where:
T₂s = outlet temperature for isentropic compression (K)
k = ratio of specific heats (Cₚ/Cᵥ)
Compressor isentropic efficiency
(h ₂ s−h ₁)
η c=
(h ₂−h₁)
Where:
ηc = compressor isentropic efficiency
h₂s = outlet enthalpy for isentropic compression (J/kg)
Actual temperature rise
(T ₂ s−T ₁)
T 2−T 1 =
ηc
Where:
T₂ = actual outlet temperature (K)
3.2.1 Expander / Turbine Design Equations
Energy balance (adiabatic turbine)
Ẇₛ = ṁ(h₁ − h₂)
Where:
Ẇₛ = power produced by turbine (W)
Specific turbine work
w = h₁ − h₂
Where:
w = specific turbine work output (J/kg)
B3. Turbine isentropic efficiency
(h ₁−h ₂)
ηt =
(h ₁−h ₂ s)
Where:
ηt = turbine isentropic efficiency
h₂s = isentropic outlet enthalpy (J/kg)
Temperature relation for turbine
T 1−T 2 =ηt (T₁ − T₂s)
Where:
T₂s = isentropic outlet temperature (K)
3.2.3 Distillation Column Design Equations
Vn
Ln Distillate (D)
XD
Feed F
XF
Bottom (B)
XB
Figure 3.1: Diagram of distllation Column
Calculating Operating Lines Equations
Upper Operating Line (UOL)
Ln XD
Yn = Xn+ D
Vn Vn
F=D+B
Reflux Ration (R)
Ln
R=
D
Vn = Ln + D
Lower Operating Line (LOL)
Lm B
Ym = X m− X
Vm Vm B
At Feed boiling point; Vn = Vm
Assumed efficiecny of the clomun is 85%
Actual no of plates
Actual Theoritical Plates
=
Efficiency
Height Of Column
Hiehgt (Hc) = No of Trays x Tray Spacing
Determintion of Column Pressure Drop
Column pressure drop per plate = sgh x No of stages
ρ – Density
g – Acceleration due to gravity
h – height
Column pressure drop = ∆ P=PB −PT
PB - Pressure at bottom
PT - Pressure at top of column
Where PT = 1atm = 101.4 ×10−3 P a
PB = ∆ P+ PT
Column Diameter
The column Area (Ac) is a function of the net area AN of column so that:
AN= 88% of Ac
AN = 0.88Ac
AN
Ac =
0.88
Column liquid vapour factor F LV
At the top; F LV =
√
L n SV
V n SL
At the bottom; F V =
√
Lm S V
V n SL
Estimation of K iat top and bottom from flooding velocity sieve plates (fig 4.1)
Using plate spacing of 0.60m
At the top; K i = 9.2 × 10-2
At the bottom; K i = 8.7 × 10-2
Surface Tension Correction:
There is need to correct K i because the surface tension of Styrene and Toluene is greater than
0.02 hence.
[ ]
0.02
Surface Tension(σ )
K i (new )=K i
0.02
Flooding Velocity;
μf =K i (new )
√ S L −S v
Sv
Design For 80% Flooding
^
Maximum Volumetric flow Rate U
Vn×M
^=
U
S v ×3600
Net Area ( A N )
Uv
A N=
Uu
Column Area ( A c )
AN
At Top Ac =
0.88
Column Diameter DC
DC=
√ A C ×4
π
Professional Plate Design
Ad =0.12 x A c
A N = A c − Ad
A a=A c −2 Ad
A N =0.10 x Aa
Weir length (l w ¿ = 2.204m
h w =50 mm
l t =0.45 m
d n=5 mm
As weeping checking
^ L Lm x M B
m
^ L=70 % m
m ^L
[ ]
2/ 3
^
ML
h^ ow ¿ 750
ρL lw
Ǔ v : Ǔ v
Actual Min. vapour velocity:
70 % U^b
U=
Ah
if U ≫ Ǔ v : Accept results as value well above weeping
(b) Plate Pressure drop:
^b
U 14.5
^=
U =
A h 0.5016
CO¿ 0.85
[ ]
2
^l ρv
m
h d=51
co ρl
12500
hr =
ρl
ht =h d + ( hw + h^ ow ) +h r
Column pressure drop:
Δ P t=ρ g ht + P atm
Down comer backup (b b)
h b=( h^ ow + hw ) +h tt + hdc
[ ]
2
l
h dc=166 wd
ρc A m
h b=187.3+8.9=196.2 mm
h b ≤ 1/2 [ 0.4 5m +5 0mm ]
Check residence time (tr)
Ad h b ρ l
t r=
m^L
Check Entrainment(φ).
^ b 14.5
U
Ur= =
A nb 4.90
Uv
% flooding= x 100 %
U fb
Trial Layout
- Catridge type construction unperforated ship=50mm
- width of unperforated = 50mm
0
θc =9 9 C
θ=180−99=81
θ θ
Lmup=( D c−Lup ) πx =(2.66−0.05)πx
180 180
¿ 3.96 m
Aup=(area of unperation) ¿ h w l mup −Lmcz=Lw+W up=2.204+0.05=2.254 m
Acz=2(Lmcz x W up)
A p =A a− A up− Ac z
7 % Aa
No. of hole ¿
Area of one hole
Plate Specification
50mm
Lw
50mm Dc
3.2.4 Flash Separator Design Equations
Overall mass balance
F=V+L
Where:
F = feed flow rate
V = vapor outlet flow rate
L = liquid outlet flow rate
Component balance
F zᵢ = V yᵢ + L xᵢ
Where:
zᵢ = feed mole fraction
xᵢ, yᵢ = liquid and vapor mole fractions
Vapor–liquid equilibrium
yᵢ = Kᵢ xᵢ
Where:
Kᵢ = equilibrium ratio of component i
Vapor fraction definition
β = V/F
Where:
β = fraction of feed vaporized
Rachford–Rice equation
Σ zᵢ(Kᵢ − 1)/[1 + β(Kᵢ − 1)] = 0
Where:
Σ denotes summation over all components
gas–liquid separator sizing
Gravitational force on droplet
F g= ( π6 ) d p
3
( ρl −ρv ) g
Where:
dₚ = droplet diameter (m)
ρl = liquid density (kg/m³)
ρ v = vapor density (kg/m³)
Drag force on droplet
F d=3 πμ dₚ v t
Where:
μ = gas viscosity (Pa·s)
v t = terminal settling velocity (m/s)
Terminal settling velocity
2 ( ρl−ρ v ) g
v t=d p
18 μ
Where:
v t determines separator sizing and gas velocity limits.
3.3 Sensitivity Analysis
Sensitivity analysis for waste to energy plant using flue gas from fluid catalytic cracking
regenerator was performed by investigating the influence of critical operating conditions such as
effect of flue gas temperature and mass flow rate from fluid catalytic cracking regenerator on
expander (gas turbine) and generator (steam turbine) power output and efficiency. Sensitivity
analysis results was obtained using Aspen Hysys case study tool.
3.4 Cost Estimation and Economic Analysis
An acceptable plant design must present a process that is capable of operating under conditions
which will yield a profit. Since net profit equals total income minus all expenses, it is essential
that the chemical engineer be aware of the many different types of costs involved in
manufacturing processes. Capital must be allocated for direct plant expenses, such as those for
raw materials, labour, and equipment. Besides direct expenses, many other indirect expenses are
incurred, and these must be included if a complete analysis of the total cost is to be obtained.
A capital investment is required for any industrial process, and determination of the necessary
investment is an important part of a plant-design project. The total investment for any process
consists of fixed-capital investment for physical equipment and facilities in the plant plus
working capital which must be available to pay salaries, keep raw materials and products on
hand, and handle other special items requiring a direct cash outlay. Thus, in an analysis of costs
in industrial processes, capital-investment costs, manufacturing costs, and general expenses
including income taxes must be taken into consideration.
3.4.1 Factors Affecting Investment and Production Cost
When a chemical engineer determines costs for any type of commercial process, these costs
should be of sufficient accuracy to provide reliable decisions. To accomplish this, the engineer
must have a complete understanding of the many factors that can affect costs. These factors
include cost of raw materials, price fluctuations, company policies, governmental regulations,
operating time and rate of production.
3.4.2 Capital Investments
The capital needed to supply the necessary manufacturing and plant facilities is called the fixed-
capital investment, while that necessary for the operation of the plant is termed the working
capital. The sum of the fixed-capital investment and the working capital is known as the total
capital investment.
3.4.3 Estimation of Capital Investment
An estimate of the capital investment for a process may vary from a predesign estimate based on
little information except the size of the proposed project to a detailed estimate prepared from
complete drawings and specifications. Between these two extremes of capital-investment
estimates, there can be numerous other estimates which vary in accuracy depending upon the
stage of development of the project.
The cost of purchased equipment is the basis of several predesign methods for estimating capital
investment. Sources of equipment prices, methods of adjusting equipment prices for capacity,
and methods of estimating auxiliary process equipment are therefore essential to the estimator in
making reliable cost estimates
3.4.4 Cost Indexes
Most cost data which are available for immediate use in a preliminary or predesign estimate are
based on conditions at some time in the past. Because prices may change considerably with time
due to changes in economic conditions, some method must be used for updating cost data
applicable at a past date to costs that are representative of conditions at a later time. This can be
done by the use of cost indexes. A cost index is merely an index value for a given point in time
showing the cost at that time relative to a certain base time.
index at present time
Present cost=originalcost (2010)×( )
index at time of original cost
3.4.5 Production Cost
The total production cost is divided into manufacturing cost, general expenses and start-up cost.
3.4.6 Manufacturing Cost
All expenses directly connected with the manufacturing operation or the physical equipment of a
process plant itself is included in the manufacturing costs. These expenses, as considered here
are the direct production costs, fixed charges and plant-overhead.
Direct production costs include expenses directly associated with the manufacturing operation.
This type of cost involves expenditures for raw materials (including transportation, unloading,
etc.,); direct operating labour; supervisory and clerical labour directly connected with the
manufacturing operation; plant maintenance and repairs; operating supplies; power; utilities;
royalties; and catalysts.
Fixed charges are expenses which remain practically constant from year to year and do not vary
widely with changes in production rate. Depreciation, property taxes, insurance, and rent require
expenditures that can be classified as fixed charges.
Plant-overhead costs are for hospital and medical services; general plant maintenance and
overhead; safety services; payroll overhead including pensions, vacation allowances, social
security, and life insurance; packaging, restaurant and recreation facilities, salvage services,
control laboratories, property protection, plant superintendence, warehouse and storage facilities,
and special employee benefits. These costs are similar to the basic fixed charges in that they do
not vary widely with changes in production rate.
3.4.7 General Expenses
In addition to the manufacturing costs, other general expenses are involved in any company’s
operations. These general expenses may be classified as administrative expenses, distribution
and marketing expenses, research and development expenses, financing expenses.
Administrative expenses include costs for executive and clerical wages, office supplies,
engineering and legal expenses, upkeep on office buildings, and general communications.
Distribution and marketing expenses are costs incurred in the process of selling and distributing
the various products. These costs include expenditures for materials handling, containers,
shipping, sales offices, salesmen, technical sales service, and advertising.
Research and development expenses are incurred by any progressive concern which wishes to
remain in a competitive industrial position. These costs are for salaries, wages, special
equipment, research facilities, and consultant fees related to developing new ideas or improved
processes.
Financing expenses include the extra costs involved in procuring the money necessary for the
capital investment. Financing expense is usually limited to interest on borrowed money, and this
expense is sometimes listed as a fixed charge.
3.4.8 Profitability Analysis
Every sound engineering investment must be judged relative to some profitability standard. An
adequate profitability standard can be calculated using the following methods.
3.4.9 Rate of Investment
This profitability measure is defined as the ratio of profit to investment.
Net profit
ROI= ×100
TCI +TPC
ROI=¿ Annual return on investment expressed as fraction or percentage per year
TCI =¿Total capital investment
TPC =¿Total production cost
3.4.10 Payback Period
Payback period is the length necessary for the total return to equal the capital investment. Hence
MFCI + NFCI
Payback period=
ACF
MFCI =¿ Manufacturing fixed capital investment
NFCI =¿ Non-manufacturing fixed capital investment
ACF=¿ Annual cash flow/ Net profit.
3.4.11 Cost of Heat Exchanger/ Distillation Column
Materials of construction = stainless steel.
Total Cost = Vessel Cost + Cost of plate
( )( )( )
Bare Material Pressure
[ VC ]
Vessel Cost
= Vessel × Factor × Factor
Cost M.F P. F