VISVESVARA YA NATIONAL INSTITUTE OF TECHNOLOGY

8 1h OCT 2016
5 th SEMESTER B.TECH (CHEMICAL) - SESSION AL-II EXAM -
SUBJECT: CHEMICAL INFORMATICS (CML 389)
Max.Marks: 15
Time: I hour
•!• Instructions to students
1) Use of scientific calculator is permitted.
2) Draw illustrative sketches wherever required.
I. The numerical values of molecular descriptors (<I> and MR) and biological activities (LogECso) for a
eries of chemical compounds are given below:
Compound Activity Hydrophobicity Molar refractivity
number (LogECso) (<I>) (MR)
1 1.07 0.00 1.03
2 0.09 0.71 6.03
3 0.66 -0.28 7.36
4 1.42 -0.57 6.33
5 -0.62 1.96 25.36
6 0.64 0.18 15.55
7 -0.46 1.12 13.94
(Note: The general equations for calculating unknowns should be first completely derived in both (a)
and (b)) (3)
(a) Develop a QSAR model by relating the activity with only hydrophobicity values using simple
linear regression method. Estimate the coefficient of determination. (5)
(b) Develop a QSA R model by relating the activity with both hydrophobicity and molar refractivity
values using multiple linear regression method. Estimate the coefficient of determination.

2. Define molecular docking. Which are the two basic steps involved in molecular docking process? (2)

3. Provide short answers:

(a) What is the significance of understanding ADME? (1)
(b) What does 'M' in ADME stands for and what is its significance? (1)
(c) Why the partition coefficient (logP) value of a pharmaceutical drug should be an optimized one? (1)
(d) What are the significances of lock and key & induced-fit theories? (1)
(e) What is the major difference between QSAR and molecular docking methods? (1)

•••••••••

Scanned by CamScanner
 '· ISYiSVARAY A NATIONAL INSTITUTE OF TECHNOLOGY, NAGPUR-440010
, Department of Chemical Engineering
Sessional Examination-2 (October-2016)
~.,ubject: Mass Transfer-II (CML 30 l) Max. Marks: 15
Time Allowed: One hour · Date: 06/10/2016
Note: Attempt all questions. Assume suitable data wherever nee sary.
1. How many equilibrium stages will be required to produce 5 mass% and 95 mass% bottom
and top products ·espectively. from a feed which contai n ,. 5 mass% of the MVC . The
column is operating essential! ., at atmospheric pressur and wi th an external reflux ratio
Ln+1/D = 3.0. The feed is at its bubb le point.
· Equilibrium Data:
x, mass fr. : 0 0.012 0.04 0.05 0.1 0.2 0.3 0.5 0.7 0.9 1.0
y, mass fr. : 0 0.-192 0.325 0.377 0.525 0.659 0.71 0.72 0.82 0.9 l 1.0
Enthalpy-Concentration Data:
x or y; mass fr.: 0 0.3 0.7 0.9
hx, kcal/kg: l 00 75 62 54
Hy, kcal/kg 639 525 368 292
Solve the problem by Enthalpy-Concentration Method . JO
2. Gas from a petroleum refinery has its concentration of H2 reduced from 0.03 k~ol H2 per
kmol inert hydrocarbon gas to 1% of thi alue by scrubbing with a tri thanol amine water
solvent in a counter current tower of height 7.79 metre operating at 300 K and atmospheric
pressure. The equilibrium relation may be taken a Y = 2 X.
where, Y == kmol H2S/kmol inert gas
X == kmol H2S/krno l so lvent
Fure solvent enters the tower and leaves containing 0.0 \ 3 km ol.., H2 p r kmol ol ent.
If the flow of inert hydrocarbon gas is 0.015 kmol /m- nd gas pha e resistance controls
the process, calculate the overall coefficient fo r absorption (m a tran fer) KG•· 05

Scanned by CamScanner
 VISVESVARA YA NATIONAL INSTITUTE OF TECHNOLOGY, NAGPUR - 440010.
DEPARTMENT OF CHEMICAL ENGINEERING
Sessional Examination -II

Time: -1 hr
Course:- ( CML303) Process Control & Instrumentation
Total Marks: - 20
Sem: - V th Date: - 07/10/2016

Question Marks
Q. No.
Derive the transfer function of pneumatic control valve. Discuss in detail, How damping 5
1.
parameter affects the nature of response in second order systems?

2. A mercury manometer system exhi bits the transfer function as shown 5

Y(s) 22
X(s) If a step change of magnitude 4 is introduced in to a system, determine
ssz +ss+ i s ·
damping parameter. If system is underdam ped, calculate percentage overshoot, Maximum
value of Y(t), U ltimate value of Y(t) and Period of oscillation.

Find transfer function C(s)/R(s) for closed loop system given in the block diagram. 5

D raw_ a block diagran:-1 of the con~ru l systc1n. Place in each block the appropriate tra.:1.sfer 5
funct10n. '
-- - -- Set point
. - composition
Pure A

_ - - Controll~r
=
c.---.
F

- --=--=- --Y_!",,
---=--=-=
F=""'==c-:+--- Produc1
<2, k2
srrcam
Composi tion
mc.asuring
clement

-~
---- /
_ Sample
stre:im

• ll..!ttting.
coil

Scanned by CamScanner
 ll <I I • _
111
Odd Semester 2016-2017 Scssio1r, 11 . I (5 Semester B.Tech. Chemical ng1~ _J
Course: CML 324 Chemical I"<.·· 1iu11 E11~1inocring-ll . - Date: 6/10/20.16
Max. Marks: 15 Duration: 1 ~~ ____ _
Assume suitc1uI,• dali.1 whenever necessary.
Answers without fom1ulae am! 111termcdiate steps will not carry any marks.
Write justifica.tion/e>q 11"111, lion for tho answer whenever require.
Write all step~ . -Jsc standard nomenclature.
Answer sub questions together ell u1" plo1cc, if not, none of the answers will be evaluated. _

/1 · Discuss the temperature depe11dc11 ~y affected by strong pore resistance [1]

2. Compare the fixed bed reactor ,llld fluidized bed reactor based on temperature and
[1]
particle size.
~ ..r"!(e..vehtcJol-l. ·
. th t•
Derive tile expression for obser1,r, I reaction rate for n orde~eaction for solid catalyzed
[1.5]
reaction with strong pore res1sta1 i...tJ.

• 4. A reaction A - > R is to lake pl ac · on a spherical porous catalyst pellet (dp =6 mm, De =

10 6 m 3/m cat.s) . How much is trie rate slowed by pore diffusional resistance if the
3
concentration of reactant bal1 1inQ l 1e particle is 100 mol/m and the diffusion-free kinetics
. '" 2 [1.5]
me !liven by -rA = 0.1 CA mol/; ,J,:at.s.

..fl~ Write different rate steps invc;I ·. :d when air bubbles through a tank of liquid which
contains dispersed microbP.s ;_ , .I is taken up by the microbes to produce product

material. Also draw th e schen,:-1 [~ .5]

51
6. Define the effectiven ess factor solid catalyzed reaction and derive its expression for 1
rl r

[1.5]
order reaction (Note: start witi1 c mcant1·ation equation) .

/I· The gas phase catalytic reactIu1 , -. > 3f~ is run at 3 atm and 107°C in a plug flow reactor
with a very large recycle wlli1.-1, contains catalyst and with feed of 25 liters/ hr of pure
unreacted A. Determine the wu, il of catalyst fqr 40% conversion. [3]
k ',::. 'o"cde -= I oo L/~ cw- , J,yy-
c.c.n" s+- \J

./8· Discuss the methodology W!t,, proper equations & figures for the design of single

adiabatic catalytic packed bc:.c.! .1cto,· based on following points:

Slope of operating 111 ,e

Type of reactor (Plug / ,.,.. ,<ed / Recycle)

Weight of tl1e catalyst

[4]
Feed Condition, ProcJw : r:ondition, & Heat Duty

Scanned by CamScanner
 )+ e-m(L-x) cosh n ~)
emL +e ml. cos /

33

0.8

I 20
XA I
,
...... I
0.4
Slope = -" 1
10
250
6
I
, /
I
0
600
- .. ('
Jo 0 .4 0.8
):

700 800
T XA

1.0 r-----,1---..._~ ~. ..:. ·:

=::::::r,=----- I
I ---1
1 .
--------
I
l .- :. . ,_ I
I
·1·- + -
I Fial. I '
0.5 - - . - . No resistance to . : . Strong pore .......... .......
1
pore diffus ion d,ffus,on effects
0.4 ··--·-·-········i--·
i
-r:~•---.1
1

I
··- i 1
I . ·:· .. --- -- ···-
0.3 .. J J - '··i·- --- ·- ·-· .....
I I
I I
' I ,: I
0.2 -- -·-·····-· .-- ·- .. - +---·· _J . ---· ..... . I..
I ' ! I
. I I I
\ I
I I
\ I
I I
\ I
I I
.. i-· --t -
I
I

Scanned by CamScanner
 Time: 1 Hour

ID.struct:ians Candids res: . . . ·ill b art of exam

a) As-:umec> sui s. e assum ti ns whe.1-e,·er ne sstu·y: b) ta which 1s n?t ~yen '' e P. --
-~p:y F rm , ti -~hrheumri al ).f :lelin~ Principle: d) Fig to the right mclicate~ full niaik
raw nea~ ii~ whe- :-e,-e neic'e'ss, ry

I"
C
C11
..
&
;-s
..
• •
C,
•
C
C::s:o
ltN

2. 8 GJ.s.l Q:U"-1 t.u :,•~ re~(.tN.

Q.2. The rea tion 3..A. C + C is carried out in an i_othermal semibatch r eactor . Product B is the desired
• · c-. Produc "" C fa a \-ery v-olatile by-product that must be Yented off to pre,·ent a pressure buildup in the
reac.: r . Gaseous C is ,·ented off through a condenser to force any A and B back in to the reactor to pre...-ent loss
o.:reacran and product. .-\.ssume FY i_ pure C. The reaction i fi:·,:,r·n,·npr ,,.. 0.·.. '!'~::- :·c!~:i-.·-:. -.·0la~w1:::. ur ~ anu
• · m .B are ~.-.1! - i.:. auci a:c-s = H J .-\.sswm. J-leriect gases and constant pressure. ,, rite the equations
d.esc:ribing the s:-s r>m. Li t all suitable as~umptions. lDensity con ~r., \ ·olume is not cons cant.) (5)

~ r

Q.3. C-onsider the ,·aporizer sho~-n below. Liquefied petroleum gas (LPG) is fed into a pressw·ized tank to hold
rhe liquid leYel in the tank. Assume that LPG is a pure component: propane. The liquid in the tank is assumed
perfectly mi....:ed. Heat is added at a rate Q to hold the de ired pressure in the tank by vaporizing the liquid at a
rat-e W, (mass per time). Heat losses and the mas of the tank w alls are assumed neo-ligible. Gas is drawn off
the too of rhe rank at a yo}umeb·ic flow rate Fv. F,, is the forcin a- function or load disturbance .
. lodel the system using aspects of ... A) TEADY TATE ~IODEL B) LIQ ID·PHA E D\ 'N.-\1\IIC i\IODEL C)
LIQCTD A."\."D YAPOR D\~ Ai\ IICS nfODEL D) THElli\IAL EQ ILlBRl r IODEL (6)
F.,

Steam

- -- - - ~ - - - - - - - ~ - - - ~ - - -·:.:.·.::.:··:.:.:.:
·······················
Scanned by CamScanner