VOC Reduction by Dynamic Condenser Design

Melanie Rondot August 5, 2004 University of Illinois at Chicago NSF-REU 2004 Advisors: Professor Andreas Linninger Andrs Malcolm, graduate student

Pharmaceutical Process
Flow diagram for typical pharmaceutical process:
Source: EPA Office of Compliance Sector Notebook Project: Profile of the Pharmaceutical Manufacturing Industry; September 1997

Condenser

Reactor

Product

Organic solvents

Volatile Organic Compounds (VOCs) in air emissions

VOC emissions regulated by EPA

Project Description
Surface condensation Condenser Model using MATLAB
Steady State Dynamic

Uncertainty
Operating Conditions Estimated Parameters

Control System

Condenser Model
Gas Inlet Coolant Inlet Gas Outlet Coolant Outlet Condensate Outlets
Fcool,Tcooln-1 Fcool,Tcooln Coolant Tcooln , Ncool Qw-cooln Wall, Twalln Qw-gn Fgn-1,Tgn-1

Finite Volume Discretization:

Gas TgN,NgN

Fgn,Tgn

Fcon,Tcon

Condenser Theory
Energy Balances Mass Balances Diffusion Equations

Diffusion Equations
No condensation

yI yg F

n condensate

=0

Diffusion-Controlled Condensation
n Fcondensate

1 yn A.DAB .C I .ln = n 1 yg

MATLAB Model
User defines Condenser geometry Physical properties Initial temperatures Initial flow rates Program calculates system variables (h, Dab, Cp, etc)

Steady State Model

Simultaneous solution of mass and energy balances using fsolve Temperature, concentration, and flow profiles
S te a dy S ta te Conde ns e r 400 Te mp (K) 300 200 Fc onb (mol/s ) VOC Conc . (mol fr.) 0.2 0.1 0 15 10 5 0.4 0.2 0 Fc on (mol/s ) ga s wa ll 0 0.5 1 1.5 2 2.5 3 Te mp (K)
c oola nt gas w all

S te a dy S tate Conde ns e r 400 200 0 Fc onb (mol/s ) VOC Conc . (mol fr.) 0.4 0.2 0 30 20 10 1 0.5 0 ga s wa ll 0 0.5 1 1.5 2 2.5 3
c oola nt gas w all

0.5

1.5

2.5

0.5

1.5

2.5

0.5

1.5

2.5

0.5

1.5

2.5

Fc on (mol/s )

0.5

1.5 Le ngth (m)

2.5

0.5

1.5 Le ngth (m)

2.5

20% Inlet VOC Concentration

40% Inlet VOC Concentration

Explanation
Appropriate concentration gradient --> condensation
Qga s (kJ /s ) S tea dy S ta te Condens e r 1

Energy balances
Qcond (kJ /s )

-1 30 20 10 0 30

0.5

1.5

n w g

=Q

n w cool

0.5

1.5

n n Qwcool = cool .(Twn Tcool )

n Qg = g .(Tgn Twn )

Qdis p (kJ /s )

20 10 0

0.5

1.5 Le ngth (m)

40% Inlet VOC Concentration Heat Flow Profiles

n n n v Qw g = Qg + Fcondensate . (C pg .(Tgn Twn ) + H g (Twn ) )

Limiting Condition
Heat Transfer Limited Condensation
n Tgn Twn Tgn = Twn ; Fcondensate =

( H
c oola nt gas wa ll 3

n Qw g v g

(Twn )
1 Qgas (kJ /s )

S tea dy S ta te Condens e r 400 Temp (K) 300 200 0.4 0.2 0 30 25 20 1 0.5 gas wa ll 0 0.5 1 1.5 2 2.5 3

0.5

Fconb (mol/s ) VOC Conc . (mol fr.)

0.5

1.5

2.5

0 30 nd (kJ /s ) 20

0.5

0.5

1.5

2.5

con (mol/s )

40% Inlet VOC Concentration with Heat Transfer Limitation

Dynamic Model
Introduces change into system Simultaneous solution of mass and energy balances using ode15s Initial values obtained from steady state solution

Dynamic Model Output

Uncertain Parameters
Operating Conditions
Inlet Gas Temperature Inlet Coolant Temperature Inlet Flowrate of Condensable Species

Estimated Parameters
Heat Transfer Coefficient of Gas Diffusion Coefficient

Uncertainty Evaluation: Procedure

Levels
Tg_in: 350 5 K Tcool_in: 230 2 K Fconb_in: 15 1 mol/s Hgas (initial): calculated 20% Dab (initial): calculated 20%

Independent Variation of 1 Variable

Outlet Gas Temperature vs. Inlet Gas Temperature
272 271 266.9 270 269 Outlet Gas Temperature (K) 268 267 266 265 264 263 266.4 262 261 344 266.3 227.6 266.8 Outlet Gas Temperature (K) 267.0

SS Uncertainty Evaluation:

Outlet Gas Temperature vs. Inlet Coolant Temperature

y = 0.8814x - 41.819 R2 = 1

y = 0.1407x + 234.3 R2 = 0.9996

266.7

266.6

266.5

345

346

347

348

349

350

351

352

353

354

355

356

228.0

228.4

228.8

229.2

229.6

230.0

230.4

230.8

231.2

231.6

232.0

232.4

Inlet Gas Temperature (K)

Inlet Coolant Temperature (K)

Outlet Gas Temperature vs. Inlet Condensable Flowrate

272

y = -4.7536x + 337.95 R2 = 1
270

Outlet Gas Temperature (K)

268

266

264

262

260 13.8

14.0

14.2

14.4

14.6

14.8

15.0

15.2

15.4

15.6

15.8

16.0

16.2

Inlet Condensable Flowrate (mol/s)

Independent Variation of 1 Variable

SS Uncertainty Evaluation:

285

Outlet Gas Temperature vs. Heat Transfer Coefficient of Gas (Initial Value)
y = -450.94x + 326.71 R2 = 0.9991

Outlet Gas Temperature vs. Diffusion Coefficient (Initial Value)

280

y = -14.415x + 324.42 2 R = 0.9994

275

280

275
Outlet Gas Temperature (K)

Outlet Gas Temperature (K)

270

270

265

265

260

260

255

255

250 0.10

0.11

0.12

0.13

0.14

0.15

0.16

0.17

250 3.0 3.2 3.4 3.6 3.8 4.0 4.2 4.4 4.6 4.8 5.0 Diffusion Coefficient (Initial Value) ( mol / (s*m^2*atm) )

Heat Transfer Coefficient of Gas (Initial Value) ( kJ / (s*m^2*K) )

Simultaneous Variation of 2 Variables

Outlet Gas Temperature vs. Variation in Inlet Gas and Coolant Temperatures
272 272 271 271

SS Uncertainty Evaluation:
Outlet Gas Temperature vs. Variation in Inlet Coolant Temperature and Inlet Condensable Flowrate

y = 0.9423x + 266.65 R2 = 1
Outlet Gas Temperature (K) Outlet Gas Temperature (K) 270

y = 1.0037x + 266.66 2 R =1
270

269

269

268

268

267

267

266 0 1 2 3 4 5 6 Level of Variation in Inlet Gas and Coolant Temperatures

266 0 1 2 3 4 5 6 Level of Variation in Inlet Coolant Temperature and Inlet Condensable Flowrate

278

Outlet Gas Temperature vs. Variation in Inlet Gas Temperature and Inlet Condensable Flowrate

276

Outlet Gas Temperature (K)

274

272

y = 1.8291x + 266.66 R2 = 1

270

268

266 0 1 2 3 4 5 6 Level of Variation in Inlet Gas Temperature and Inlet Condensable Flowrate

Control System
Influence system toward operation about set point by adjusting coolant flowrate

Error:

e = Tg (n + 1) Tsp

Control Action:

Gc = kc *(e +

1 TI

edt )

Decrease Inlet Coolant Temperature

Temporary repons e of element a 270 268.5 268 Gas Temp (K) 267.5 267 266.5 266

Control System:
260 Temp (K)

Tsp = 268.2K

250

240

Gas Coolant Wall

230

50

100 Time (s )

150

200

250

50

100 Time (s )

150

200

250

0.5 0 -0.5 -1 -1.5 -2

15

Coolant Flowrate (kg/s ) 0 50 100 Time (s ) 150 200 250

10

Error (K)

50

100 Time (s )

150

200

250

Response to 20% Decrease in Inlet Coolant Temperature at t = 120s

Control System:

Increase Inlet Coolant Temperature

Tsp = 268.2K

Response to 20% Increase in Inlet Coolant Temperature at t = 120s

Suggested Future Work

Run simulations and uncertainty trials for systems with different species and condenser geometries Introduce system variable calculations into model for treatment of inlet streams containing more than one condensable species Compare simulation results with experimental data to judge accuracy and determine magnitude of error in parameter estimations (Cpgas, hgas, Dab) Gather information regarding cryogenic cooling systems and cost data for condenser construction and operation

Acknowledgements
Faculty, graduate students, and post-doctoral researchers in the Chemical Engineering Department at the University of Illinois at Chicago, particularly Professor Andreas Linninger and Andrs Malcolm The National Science Foundation