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The document outlines a lab manual for the Modelling and Simulation Lab at Sant Longowal Institute of Engineering and Technology, detailing various experiments related to ordinary differential equations and chemical engineering processes. Each experiment includes objectives, theoretical background, and coding instructions for simulations using methods like Euler, Newton-Raphson, and interval halving. The manual emphasizes the application of mathematical modeling in real-world chemical engineering scenarios, including tank dynamics, heat exchangers, and continuous stirred-tank reactors (CSTRs).
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SANT LONGOWAL INSTITUTE OF ENGINEERING AND TECHNOLOGY, LONGOWAL,
(Deemed to be University, CFTI under MHRD)
Department of Chemical Engineering
Lab Mannual
Programm: Undergraduate
Subject Name: Modelling and simulation Lab Sub Code: CH-711
ist of lab experiments _
ordinary differential equation
Exp. No.5:
Exp. No.6:
Exp. No.7:
Prepared By:
Lab In charge: Avinash Thakur
iment on the accuracy and numerical stability of Euler method to solve the
To develop a Mathematical model for a liquid filled tank whose outlet flow is a
nonlinear function of tank height. Determine the time for the tank height to reach a
certain level.
Find the Bubble point temperature and vapour composition of a binary system using
Newton Raphson algorithm
| Find the Bubble point temperature and vapour composition of a binary system using
| interval halving algorithm. _ ae i
To find the steady state outlet temperature of Hot Fluid and Cold Fluid flowing in a
Counter current heat exchanger using explicit convergence method
To Simulate a nonisothermal CSTR using Euler and Fourth order Runge -Kutta and
compare the maximum step size and computation time that provides 0.1% accuracy.
Simulate the manipulated concentration fed to the first CSTR of the three isothermal
CCSTRs put in series (Closed Loop using proportional integral feedback controller) to
| find the dynamic changes in the outlet concentration of reactant from third CSTR
| (Assuming first order reaction in all CSTRs) : Bi
Simulate the batch reactor where a proportional Feedback controller is used to
control the steam and cold fluid flow rate into the jacket.
cian: Mr. Ravinder Kumar5466666464666
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Experiment No. 1
Title: Comment on the accuracy and numerical stability of Euler method to
solve the ordinary differential equation
ax
—=1-x
dt
Theory:
Suppose we have a system that is described by the ODE with v = 0 att = 0
xw=i-et
A FORTRAN digital computer program using Euler is given below for reference.
An integration step size (DELTA) of 0.05 is used:
Euler Method:
For solving ODE = fx0 with initial condition *() ~ *0,
Using the step size of At, nth value of x can be obtained as
dx
tome (Ge) At
To the (n+1)st step in time
tha = Gy tat
Fairly small steps must be taken (<0.1) if an accurate dynamic curve of iz) is
desired. Fairly large steps can be taken, but the solution is not accurate.. The
physical system or process is not unstable. The Euler algorithm has the
property that if the steps are made small enough to achieve reasonable
accuracy ( Four to five significant figures), the solution is stable.
These steps sizes scale directly with the time constant t. If t were 10, we could
take steps that were 10 times bigger. So the maximum stable step size for
Euler integration is twice the time constant.
Algorithm
write the algorithm and code in C++ or Matlab Code for obtaining the results.
Plot the result in Excel and comment,
——CETL Leese ell ee
Title: To develop a Mathematical model for a liqui
flow is a nonlinear function of tank height. Determine
height to reach a certain level.
Theory: The ODE resulted from force balance on the outlet line is
@
Total continuity equation on the liquid in the tank gives
dh
A; —- = Fo—F ii
1 gp = Fo w@
Using the relationship F = vA,and substituting the numerical values of
parameters into Equation (i) and (ii) give
dv Rod eA
qe 7 9. 0107h— 0.002050 (itt)
ah 4.311 ~0.0624 i
ate o (iv)
Using the explicit first order Euler algorithm is used for solving V and H as a
function of time, the right-hand sides of Equations (iii) and (iv) are the derivative
functions coded as VDOT and HDOT in the program. At the nth Step in Time
(VDOT), = 0.0107(H), ~0.00205|(V),|?_— (v)
(HDOT), = 0.311 ~0.0624(V) (vi)
The new values of H and V at the (n+1)st step are calculated from the Euler
Algorithm with a step size of DELTA.
(nia = (Hq + DELTA(HDOT),, (vii)
usr = (Vm + DELTA(VDOT), (viii)
Using Euler method, write the code in for obtaining the results in C++ or
Matlab Code.bob d dese eee l eds ds bbb et
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Experiment No. 3
Title: Find the Bubble point temperature and vapour composition of a bina
system using Newton Raphson algorithm
Theory:
Newton-Raphson amounts to using the slope of the function curve to
extrapolate to the correct value. Using the bubble point problem as a specific
example, let us define the function f(T)
insta 7% ©
We want to find the value of Tthat makes, /(T), equal to zero; i.e.,
a) find the root of f(T) .
b) Guess a value of temperature Ty and
¢) Then we evaluate the function at7, , f
d) Next evaluate the slope of the function at To, fx,)
Which can be given as
fire
we.
al
Solving for 7, gives
_ fire (iii)
T; in Eq. (iii) is the new guess of temperature. If the curve f(T) were a
straight line, it would converge to the correct solution in just one iteration
We get the recursive iteration Algorithm as
—fe
fn
(iv)
Ty, =New guess of temperature
T, =old guess of temperature
fy =Value of f(T) atT =T,
aI, = value of derivative of a atl = 7,
aT
Evaluating the derivatives of the function
i ae G2.s2
fry = Past? — P = xe) 4 (4 jer *8?)
_ —x)A2P3
=-xA1 pj US 4aPs
Using Newton Raphson method, write the code in for obtaining the results inebb dll lblddddddicscddesetiece
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Experiment No. 4
Title: Find the Bubble point temperature and vapour composition of a binary
system using Interval halving algorithm.
Theor
Interval halving technique is quite simple and easy to visualize and program. It
is not very rapid in converging to the correct solution, but it is rock-bottom
stable (it won't blow up on you numerically). It works well in dynamic
simulations because the step size can be adjusted to correspond approximately
to the rate at which the variable is changing with time during the integration
time step.
fon = PES =P @
Figure shows sketches the interval-halving procedure graphically. An initial
guess of temperature To is made. P{° is calculated from Eq. (i) . Then P&*"" is
compared to P. A fixed increment in temperature AT is added to or subtracted
from the temperature guess, depending on whether PA" is greater or less
than P.
(a)
T,
Correct value of T alt
TemperatureWe keep moving in the correct direction at this fixed step size ee
a change in the sign of the term (P - P*" ). This means we have cros cart
the correct value of T. Then we back up halfway, i.e., we halve the Lied
AT. With each successive iteration we again halve AT, always moving either up
or down in temperature.
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Experiment No. 5
Title: To find the steady state outlet temperature of Hot Fluid and Cold Fluid
flowing in a Counter current heat exchanger using explicit convergence method
Theory:
For some systems of equation, itis possible to guess a value of avariable Xguess
and then use one of the equations to solve explicitly for a new calculated value
of the same variable, xqic- Then the calculated value and the original guess are
compared, and a new guess is made.
The new guess can be simply the calculated value (this is called successive
substitution). Convergence may be very slow because of
{1) A very slow rate of approach of Xcatc tO Xyuess
(2) an oscillation of xcqie back and forth around Xguess- The loop can even
diverge.
Therefore, 2 convergence factor f can be used to speed up or slow down the
rate at which X,uess is permitted to change from iteration to iteration,
Cpctedeew = Cegecen nce +B [cus — (pues) as] @
Cooling water
170.5 gpm
80°F
The steady state equations for heat transfer are
aQ = VA(AT),y = (120)(879)(4T) im wi
Q = (70000) (0.5)(250 — Ty2) id)
Q = (170.5)(60)(8.33)(Tc2 — 80) (iv)
(ory ~280= Tad = C= 80)} o
Procedure:
We have four equations and four variables: Q, (AT)im> Tea» Tu2: Using the data
given in figure, write the code in C++ to obtain the results Using the following
iterative procedure as
1, Guess a value for the oil outlet temperature Taye**(which must be
greater than 80°F, for physical reasons).
Calculate Q: From Eq. no (iii)
Calculate Tc. from Eq. no (iv)
Calculate the LMTD driving force (AT), from Eq. No (v)
Calculate a new heat transfer rate Q, from Eq. no (ii)
Substitute the value of Qzinto (iii) and calculate a Tz
Compare 7/7," and T)i3"°
Reguess 7){'°** using Eq. No (i)
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Experiment No 6
Objective: To Simulate a no- isothermal CSTR using Euler and Fourth order
Runge -Kutta and compare the maximum step size and computation time that
Provides 0.1% accuracy
Theory:
The jacketed Exothermic CSTR provides a good example of the simulation of
very nonlinear ODEs. Both flow rates and holdups will be variable. A
Proportional level controller manipulates the liquid leaving the tank, F, as a
linear function of the volume in the tank
F = 40—10(48-V) @
A second controller manipulates the liquid leaving the jacket,
in direct proportion to the temperature in the reactor.
F, = 40 - 10(48 - Vv) (iw)
Constant holdup and perfect mixing are assumed in the cooling jacket.
Disturbances in inlet feed flow rate Fy and feed concentration Cyo are step
changes at time equal zero.
The ODEs describing the system are
Bee ad
aah (iid)
da(VC,
VG) _ FoCao— FC, — ViCy (iv)
dt
a(VT) AVKC, UA
cieeee Ole Me are oo iD) @)
@)i i ii) and
The algebraic equations describing the system are equations (i) and (ii)
the following
k= ae~#/Ar
Algorithm
write the algorithm and code in C++ or Matlab Code for obtaining the results.
Using the table wherein values of parameters and steady state conditions have
been provided. The variables with overseas or bars over them are steady state
values. Note that the time basis used in this problem is hours.
Plot figures using excel to show results for disturbances in fed composition and
feed flow rate. Show the effect of decrement in controller gain to 2.5 for larger
feed disturbance
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Experiment No, 7
Objective; Simulate the manipulated concentration fed to the first CSTR of the
three isothermal CSTRs put in series (Closed Loop using proportional integral
feedback controller) to find the dynamic changes in the outlet concentration of
reactant from third CSTR (Assuming first order reaction in all CSTRs)
Theory:
The equations describing the series of three isothermal CSTRs were developed
de, 1
Ae = | (Cao ~ Car) ~ KEar 0)
dy, 41
Bete Ca = Can) ~ kan (ui)
de, 1
de z (Cae Can) ~ KCny (ui)
The initial conditions are Caro, Caro), Cayo) kgmol of component A/m!
The forcing function is Cao Assume that at time zero Cy is set at 1.8kgmol of
A/m! and held constant, The parameter tis set equal to 2 min and the value if
kis 0.5 min,
The right-hand sides of the ODEs (i), (li)and(iil)respectively are the functions
f(x,t), Let us call these derivatives CA1DOT, CA2DOT, and CA3DOT, at the nth
step in time,
(CALDOT), © *[(Ca0)n(Cavnrk(Carn (wv)
(CA2DONy = *[(Cay)n(Car nb-K(Ca2)n @)
(CA1D07), = : [Cnado(Caa)nbk(Cas)n (wd,
naThen to step to the next point in time, using Euler integration with a step size
DELTA
(CAI) nix = (CA1)y + DELTA(CA1DOT), (vii)
(CA2)ns1 = (CA2), + DELTA(CA2D0T), (vii)
(CA3)n41 = (CA3), + DELTA(CA3DOT), (vii)
For closed Loop System the controller looks at the product concentration
leaving the third tank C,3 and makes adjustments in the inlet concentration to
the first reactor Cyo in order to keep C,3 near its desired set point value Cis‘
The variable C,y is a disturbance concentration and the variable Cay is 2
manipulated concentration that is changed by the controller. We assume that
Cao = Cam + Cap (iid)
Feedback
controller
&)
Outlet flow.
Process
Feedback
conteoller
Reactant
rich stream # :
point CZ
@)
Figure: Closed Loop Three CSTR Process (a) idealized System and (b) Actual
System
7
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The feed back controller has proportional and integral action to change
Cam based on the magnitude of the error (the difference between the setpoint
and CA3) and the integral of this error.
iL
Cue 0.8+K.(E+— | Eq ae) (ix)
where E= CxS — Cay
K, = feedback controller gain ( dimensionless)
t1 = feedback controller integral time constant or reset time( minutes)
Algorithm
write the algorithm and code in C++ or Matlab Code for obtaining the results.
Plot the result in Excel and comment.Experiment No 8
Title: Simulate the batch reactor where a proportional Feedback controller Is
used to control the steam and cold fluid flow rate into the jacket,
Theory:
foe
1
temp |_*e
controller
Steam
s
Pry
-
CHPCEECCECCCCCOCOTrA
fe]
"_
Consider the Batch reactor in which steam is initially fed into the jacket to heat
up the system to temperature at which the consecutive reactions begin.
~™
~
~~
9
2
The output signal of the temperature controller goes to two split-ranged
valves, a steam valve and a water valve. The instrumentation is all pneumatic,
‘50 the controller output pressure P. goes from 3 to 15 psig. The valves will be
adjusted so that the steam valve is wide open when the controller output
pressure P; is at 15 psig and is closed at P. = 9 psig. The water valve will be
closed at P, =O psig and wide open at P, =3 psig. The reason for hooking up the
zt In this manner is to have the correct fail-safe action in the event of an
air failure. The steam valve take air pressure to open it andtherefore it will fail closed and call this an ‘air-to-open’ (AO) valve. On the
other hand, the water takes air pressure to close it and therefore it will fail
‘open. This is ‘air-to-close' (AC) valve. In case of emergency it is desired to
remove the source of heat and go to full cooling.
Controller output range(psig) 3 9 15
Steam valve fraction open Xs: (Closed) 1 (Open)
Water valve fraction open Xu: (open) (Closed)
The equations for the reaction liquid inside the tank and the vessel metal can
be described as
WA = hcg @
oo teyey— k2Cy (id)
a Fe hats (ii)
Qu-hA(T-Tw) )
dTy w)
"de &
The equations for the jacket are different for the three pases of the batch
cycle.
A. With steam in the jacket(35psia supply pressure steam):
dp,
1am, wo
MP, ie
aL OS vii
Ps* R(T, + 460) ub
Avp yi
P, = exp ten + Poy) (viii)
oF
DOP PPAPPFPAPHFPPAPAPFOLEPLKPPPPPETTPPPPPP| PD SD Oe Ne i eee a ee ee ee ee ee Ta eee ae
w, = Cy.X, [35 (ix)
Q = —hoAos(Ty ~ Tu) (~)
4
Hah (xi)
B. During filling with water (20 psig water header pressure):
Ao ae
Ag= (32) vy, (xii)
Vs cotat
dv, ee
ae = Fwo (xiii)
d(V,T)) Qs 7
de = Fwol yo + aig) (xiv)
Q) = RowAo(Tu ~ T)) (xv)
Fwo = CywXwV20 (xvi)
C. When the jacket is full of water:
g
V0;
at,
dt
ane —T))+ (xvi)
J
The tempreture transmitter has a range of SO to 250°F, so its out put
pneumatic pressure signal goes from 3 psig at 50°F to 250°F
12
Prr = 34 (7-50) (xvii)
A propotional feedback controller is used with its output biased at 7psiglie, its
output pressure is 7psig when is zero error).
Pe =7+K_(P%* — Pyz) (xviii)
The setpoint signal PS“ comes from a pneumatic function generator. when the
Process tempreture gets upto 200°F the P**‘signal is ramped slowly
downward to prevent too much loss of componenet 8
PS*t = 12 — RAMP(t — f299) (xix)where RAMPz=rate of P°*' change with time , psi/min
t = batch time, min
t= time when process tempreture T reaches 200°F
Algorithm
write the algorithm and code in C++ or Matlab Code for obtaining the results.
Plot the result in Excel for batch reactor and comment. Use the da’
table given below.
Parameters for hatch reactor
ta in the
&
Ht
729,55 min~*
6567.6 min™!
15,000 Btu/lb : mol
20,000 Btu/lb - mol
—8744.4°R
15.70
0,80 Ib: mol A/ft?
80°F
‘LO psi/psi
112 1b,,/min psi**
1000 Btu/h °F ft?
400 Btu/h °F ft?
160 Btu/h °F ft?
56.5 NF
939 Btu/lb..
18.83 ft?
100 gpm/pai?*
80°F
56.5 Nh?
— 40,000 Btu/lb» mol
~ 50,000 Btu/lb- mot
1 Buuflb,, °F
42.5 1?
50 Ib,,/?
0.12 Btu/lb,, °F
9.42 3
512 Ib,,/ft?
62.3 Ib, Mt?
1 Btu/lb,, °F
—————
Daan a