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Polymath Workshop
UMP
24TH NOV 2018
OUTLINE
 Introduction
 Chemical Reaction Engineering Problem Solving with
Polymath
 CSTR- Single and multiple reactions
 Batch reactor- Single and multiple reactions
 Plug flow reactor- Single reaction, multiple reactions, heat effects,
pressure drop
 Conclusion
Introduction
 POLYMATH is a proven computational system that has been
specifically created for educational or professional use.
 The various POLYMATH programs allow the user to apply
effective numerical analysis techniques during interactive
problem solving on personal computers.
 Results are presented graphically for easy understanding and
for incorporation into papers and reports.
 Engineers, mathematicians, scientists, students, or anyone
with a need to solve problems will appreciate the efficiency
and speed of problem solution.
Basic Function in Polymath
 Linear Equations Solver
 Nonlinear Equations Solver
 Differential Equations Solver
 Regression
 Linear & Polynomial
 Data Table
 Multiple Linear or Multiple Nonlinear Regression
 Additional Capabilities
 Export to Excel
 Calculator and unit conversion tools
 Polymath Export to Matlab(see help Menu for more information)equation
Problem Solving in Chemical Engineering with
Polymath
 Thermodynamics
 Compressibility factor variation from Van Der Waals Equation
 Fugacity coefficients of pure fluids from various Equations of State
 Fluid Mechanics
 Calculations involving friction factors for flow in pipes
 Heat Transfer
 Heat losses from an uninsulated tank due to convection
 Mass Transfer
 One dimensional binary mass transfer in a Stefan tube
Problem Solving in Chemical Engineering
with Polymath
 Phase Equilibria and Distillation
 Fenske-Underwood-Gilliland Correlations for Separation Processes
 Process Dynamics and Control
 Dynamics and control of a stirred tank heater
 Closed loop controller tuning
 Biochemical Engineering
 Semi-continuous fed batch and cyclic-fed batch operation
Chemical Reaction Engineering
Objective
 To use polymath as the tool for reactor decision and design
Starting Polymath
Program in Polymath
For More Info- Help Menu
Help Menu
Chemical Reaction Engineering
Problem Solving with Polymath
Single reaction in CSTR
An 1000-L isothermal CSTR is used to carry out two series/parallel reaction:
 M + H  X r1=k1CH
0.5CM k1= 55 (cm3/mol)0.5 h-1
Components M and H have the following concentrations in the feed:
CM0= 0.010 mol/cm3 CH0= 0.020 mol/cm3
The volumetric flow rate is 2000 L/h.
Determine the conversion at the reactor exit stream.
Multiple Reactions in CSTR
An isothermal CSTR is used to carry out two series/parallel reaction:
 M + H  X r1=k1CH
0.5CM k1= 55 (cm3/mol)0.5 h-1
 X + H  T r2=k2CH
0.5CX k2= 30 (cm3/mol)0.5 h-1
Components M and H have the following concentrations in the feed:
CM0= 0.010 mol/cm3 CH0= 0.020 mol/cm3
The volumetric flow rate is 2000 L/h.
Generate the yield vs conversion of M profile. (Hint: you may vary the residence time
to vary the conversion of the M).
Single Reaction in Batch Reactor
Single Reaction
A B r1=k1CA k1=1 hr-1
Using Polymath, we can monitor the conversion of A and the
formation of B. CA0= 2 mol/L
Determine the conversion of A at t=3 hr
Multiple reaction in Batch Reactor
Series Reaction
A B r1=k1CA k1=1 hr-1
B C r2=k2CB k2=2 hr-1
Using Polymath, we can monitor the conversion of A, the
formation (and disappearance) of B, and the formation of C in a
batch reactor for 3 hrs. CA0= 2 mol/L
How can B be maximised in a batch reactor?
Single Reaction in PFR
 The following gas phase reactions occur in an isothermal PFR:
 Reaction 1: A  B r1A=-k1A*CA
k1A=10exp[E1/R(1/300-1/T)] s-1
E1= 33256 J/mol, R=8.314 J/mol.K
Pure A is fed at a rate of 100 mol/s, a temperature of 150 °C, and
a concentration of 0.1 mol/dm3. The pressure drop across the
reactor is negligible.
Determine the flow rate profiles down the reactor.
Multiple Reaction in PFR
 The following gas phase reactions occur in an isothermal PFR:
 Reaction 1: A  B r1A=-k1A*CA k1A=10exp[E1/R(1/300-1/T)] s-1
E1= 33256 J/mol, R= 8.314 J/mol.K
 Reaction 2: 2A  C r2A=-k2ACA
2 k2A=0.09exp[E2/R(1/300-1/T)] s-1
E2= 74826 J/mol
Pure A is fed at a rate of 100 mol/s, a temperature of 150 °C, and a concentration of
0.1 mol/dm3. The pressure drop across the reactor is negligible.
Determine the flow rate profiles down the reactor.
Generate the Yield vs Conversion profile.
Multiple Reaction in PFR- Pressure Drop
 The following gas phase reactions occur in an isothermal PFR:
 Reaction 1: A  B r1A=-k1A*CA k1A=10exp[E1/R(1/300-1/T)] s-1
E1= 33256 J/mol, R= 8.314 J/mol.K
 Reaction 2: 2A  C r2A=-k2ACA
2 k2A=0.09exp[E2/R(1/300-1/T)] s-1
E2= 74826 J/mol
Pure A is fed at a rate of 100 mol/s, a temperature of 150 °C, and a concentration of 0.1 mol/dm3.
The pressure drop across the reactor should be considered with the following details:
d(y) / d(V) = ((-alpha*rhob)/(2*y))*(T/T0)*FT/FT0
rhob= 800 kg/m3
alpha= 2e-5 g-1
Determine the flow rate profiles down the reactor.
Generate the Yield vs Conversion profile.
Multiple Reaction in PFR- Heat Effect
 The following gas phase reactions occur in a PFR:
 Reaction 1: A  B r1A=-k1A*CA k1A=10exp[E1/R(1/300-1/T)] s-1
E1= 33256 J/mol, R= 8.314 J/mol.K
 Reaction 2: 2A  C r2A=-k2ACA
2 k2A=0.09exp[E2/R(1/300-1/T)] s-1
E2= 74826 J/mol
Pure A is fed at a rate of 100 mol/s, a temperature of 150 °C, and a concentration of 0.1 mol/dm3. The
pressure drop across the reactor is negligible. Determine the temperature and flow rate profiles down
the reactor.
Additional info:
ΔHRx1A= -20000 J/mol of A
ΔHRx2A= -60000 J/mol of A
CPA= 90 J/mol.°C
CPB= 90 J/mol.°C
CPC= 180 J/mol.°C
Ua= 4000 J/m3.s .°C
Ta= 100 °C
Multiple Reaction in PFR- Heat Effect
 Hints:
 Energy balance equation
 dT/dV=Ua(Ta-T)+(-r1A)(-ΔHRx1A)+(-r2A)(-ΔHRx2A)/(FACPA+FBCPB+FC*CPC)
Multiple Reaction in PFR with Heat Effect
and Pressure Drop
 Combine with pressure drop and heat effect
Conclusion
 The tools like Polymath should be fully utilised to save time in
solving the chemical reaction engineering problems.
 One have to understand the equations before the tool is used
to solve it. The tool should speed up your pace but not to
trouble you and delay your work.

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Polymayh workshop.pptx

  • 2. OUTLINE  Introduction  Chemical Reaction Engineering Problem Solving with Polymath  CSTR- Single and multiple reactions  Batch reactor- Single and multiple reactions  Plug flow reactor- Single reaction, multiple reactions, heat effects, pressure drop  Conclusion
  • 3. Introduction  POLYMATH is a proven computational system that has been specifically created for educational or professional use.  The various POLYMATH programs allow the user to apply effective numerical analysis techniques during interactive problem solving on personal computers.  Results are presented graphically for easy understanding and for incorporation into papers and reports.  Engineers, mathematicians, scientists, students, or anyone with a need to solve problems will appreciate the efficiency and speed of problem solution.
  • 4. Basic Function in Polymath  Linear Equations Solver  Nonlinear Equations Solver  Differential Equations Solver  Regression  Linear & Polynomial  Data Table  Multiple Linear or Multiple Nonlinear Regression  Additional Capabilities  Export to Excel  Calculator and unit conversion tools  Polymath Export to Matlab(see help Menu for more information)equation
  • 5. Problem Solving in Chemical Engineering with Polymath  Thermodynamics  Compressibility factor variation from Van Der Waals Equation  Fugacity coefficients of pure fluids from various Equations of State  Fluid Mechanics  Calculations involving friction factors for flow in pipes  Heat Transfer  Heat losses from an uninsulated tank due to convection  Mass Transfer  One dimensional binary mass transfer in a Stefan tube
  • 6. Problem Solving in Chemical Engineering with Polymath  Phase Equilibria and Distillation  Fenske-Underwood-Gilliland Correlations for Separation Processes  Process Dynamics and Control  Dynamics and control of a stirred tank heater  Closed loop controller tuning  Biochemical Engineering  Semi-continuous fed batch and cyclic-fed batch operation Chemical Reaction Engineering
  • 7. Objective  To use polymath as the tool for reactor decision and design
  • 10. For More Info- Help Menu
  • 12. Chemical Reaction Engineering Problem Solving with Polymath
  • 13. Single reaction in CSTR An 1000-L isothermal CSTR is used to carry out two series/parallel reaction:  M + H  X r1=k1CH 0.5CM k1= 55 (cm3/mol)0.5 h-1 Components M and H have the following concentrations in the feed: CM0= 0.010 mol/cm3 CH0= 0.020 mol/cm3 The volumetric flow rate is 2000 L/h. Determine the conversion at the reactor exit stream.
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  • 16. Multiple Reactions in CSTR An isothermal CSTR is used to carry out two series/parallel reaction:  M + H  X r1=k1CH 0.5CM k1= 55 (cm3/mol)0.5 h-1  X + H  T r2=k2CH 0.5CX k2= 30 (cm3/mol)0.5 h-1 Components M and H have the following concentrations in the feed: CM0= 0.010 mol/cm3 CH0= 0.020 mol/cm3 The volumetric flow rate is 2000 L/h. Generate the yield vs conversion of M profile. (Hint: you may vary the residence time to vary the conversion of the M).
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  • 19. Single Reaction in Batch Reactor Single Reaction A B r1=k1CA k1=1 hr-1 Using Polymath, we can monitor the conversion of A and the formation of B. CA0= 2 mol/L Determine the conversion of A at t=3 hr
  • 20. Multiple reaction in Batch Reactor Series Reaction A B r1=k1CA k1=1 hr-1 B C r2=k2CB k2=2 hr-1 Using Polymath, we can monitor the conversion of A, the formation (and disappearance) of B, and the formation of C in a batch reactor for 3 hrs. CA0= 2 mol/L How can B be maximised in a batch reactor?
  • 21. Single Reaction in PFR  The following gas phase reactions occur in an isothermal PFR:  Reaction 1: A  B r1A=-k1A*CA k1A=10exp[E1/R(1/300-1/T)] s-1 E1= 33256 J/mol, R=8.314 J/mol.K Pure A is fed at a rate of 100 mol/s, a temperature of 150 °C, and a concentration of 0.1 mol/dm3. The pressure drop across the reactor is negligible. Determine the flow rate profiles down the reactor.
  • 22. Multiple Reaction in PFR  The following gas phase reactions occur in an isothermal PFR:  Reaction 1: A  B r1A=-k1A*CA k1A=10exp[E1/R(1/300-1/T)] s-1 E1= 33256 J/mol, R= 8.314 J/mol.K  Reaction 2: 2A  C r2A=-k2ACA 2 k2A=0.09exp[E2/R(1/300-1/T)] s-1 E2= 74826 J/mol Pure A is fed at a rate of 100 mol/s, a temperature of 150 °C, and a concentration of 0.1 mol/dm3. The pressure drop across the reactor is negligible. Determine the flow rate profiles down the reactor. Generate the Yield vs Conversion profile.
  • 23. Multiple Reaction in PFR- Pressure Drop  The following gas phase reactions occur in an isothermal PFR:  Reaction 1: A  B r1A=-k1A*CA k1A=10exp[E1/R(1/300-1/T)] s-1 E1= 33256 J/mol, R= 8.314 J/mol.K  Reaction 2: 2A  C r2A=-k2ACA 2 k2A=0.09exp[E2/R(1/300-1/T)] s-1 E2= 74826 J/mol Pure A is fed at a rate of 100 mol/s, a temperature of 150 °C, and a concentration of 0.1 mol/dm3. The pressure drop across the reactor should be considered with the following details: d(y) / d(V) = ((-alpha*rhob)/(2*y))*(T/T0)*FT/FT0 rhob= 800 kg/m3 alpha= 2e-5 g-1 Determine the flow rate profiles down the reactor. Generate the Yield vs Conversion profile.
  • 24. Multiple Reaction in PFR- Heat Effect  The following gas phase reactions occur in a PFR:  Reaction 1: A  B r1A=-k1A*CA k1A=10exp[E1/R(1/300-1/T)] s-1 E1= 33256 J/mol, R= 8.314 J/mol.K  Reaction 2: 2A  C r2A=-k2ACA 2 k2A=0.09exp[E2/R(1/300-1/T)] s-1 E2= 74826 J/mol Pure A is fed at a rate of 100 mol/s, a temperature of 150 °C, and a concentration of 0.1 mol/dm3. The pressure drop across the reactor is negligible. Determine the temperature and flow rate profiles down the reactor. Additional info: ΔHRx1A= -20000 J/mol of A ΔHRx2A= -60000 J/mol of A CPA= 90 J/mol.°C CPB= 90 J/mol.°C CPC= 180 J/mol.°C Ua= 4000 J/m3.s .°C Ta= 100 °C
  • 25. Multiple Reaction in PFR- Heat Effect  Hints:  Energy balance equation  dT/dV=Ua(Ta-T)+(-r1A)(-ΔHRx1A)+(-r2A)(-ΔHRx2A)/(FACPA+FBCPB+FC*CPC)
  • 26. Multiple Reaction in PFR with Heat Effect and Pressure Drop  Combine with pressure drop and heat effect
  • 27. Conclusion  The tools like Polymath should be fully utilised to save time in solving the chemical reaction engineering problems.  One have to understand the equations before the tool is used to solve it. The tool should speed up your pace but not to trouble you and delay your work.