Novel Approach for Teaching Microchemical Systems …Novel Approach for Teaching Microchemical...
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Novel Approach for Teaching Microchemical
Systems Analysis to Chemical Engineering
Students Using Graphical User Interfaces (GUIs)
Anuradha NagarajDepartment of Environmental Engineering
Anoop Uchagawkar & Patrick L. Mills*Department of Chemical & Natural Gas Engineering
Texas A & M University-Kingsville
Kingsville, TX 78363-8202 USA
COMSOL Conference 2015 BostonSession: Optimization and Simulation Methods
Boston Marriott Newton Commonwealth Ballroom 1
Boston, MA 1:00 PM – 2:30 PMOctober 8, 2015
Moderator : Jeffrey Fong
Tee-
Micromixer
Microreactor
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Background
• Next generation technologies must be developed that potentially change the
chemical plants and process engineering giving rise to safe, compact, flexible,
eco-friendly, energy efficient processes and plants.
• Traditional educational curriculum provide engineering students with a
spectrum of theoretical knowledge, but generally provide limited exposure to
more advanced technologies.
• Utilization of process simulators and design tools allow engineering students to
gain useful exposure to advanced technologies.
• Microprocess systems is one of the key emerging technologies with applications
ranging from discovery research through commercial processes.
• This technology was introduced as part of the NSF funded web-based learning
resource called Interlinked Curriculum Components (ICCs) to educate
undergraduate students*. *P.L. Mills et al., Development Of A Web Based Self Teaching And Module For Chemical Engineering Microchemical Systems, American Society for Engineering
Education Conference Proceedings (2010).
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Microprocess Systems ICC
• MEMS & microreactors Components, materials, & fabrication processes
• Microfluidics Fluid mechanics at the microscale
• Transport phenomena Coupled momentum & energy transport
• Transport-kinetic effects Coupled momentum, energy, & species transport
• Device & system design Microprocess component & system performance
Objectives:
1. Introduce MEMS as applied to microreaction systems.
2. Broaden exposure to multi-scale type of analysis.
3. Strengthen understanding & insight into system behavior.
Focus Areas:
Micro Heat Exchanger Microchannel Reactor Micro Fluid Mixer
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Tee-Micromixer (Glass)
Falling Film Gas-liquid
Microreactor
Cross-flow Heat
Exchanger
Interdigitial Micromixer
for Two-phase Systems
Microreactors & MicroprocessComponents Fabricated from Glass & Metal
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Microchannel vs Conventional Reactors-Typical Ranges for Design Parameters-
Internal volume 1-1000 L 100 ml-30,000 L
Surface Area/Volume 10,000-50,000 m2/m3 100-1000 m2/m3
Heat transfer coeff. 10-25,000 kW/m2/K
Film thickness ~25 L ~250 L
Mixing time < 1 sec > 1 sec
17-25 kW/m2/K
Power input 10 X less
MicrochannelReactor
ConventionalReactor
DesignParameter
X
Angew. Chem. Int. Ed. 43,406,2004
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Graphical User Interface (GUI)
• Readily allows users to modify key system
parameters and to obtain graphical results.
• Advantages of GUI’s in COMSOL
– Reduces the complications with model development
– Simplifies assigning boundary conditions
– Allows visualization of various model parameters
– Improves understanding of model physics vs details
associated with the model development
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GUI creation using COMSOL with MATLAB
Input Parameters
Output Results
Layout Creation
.fig File .m FileTrouble
Shooting
Steps Involved in GUI Creation
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Example of Typical GUI Layout
Panel 1 : Geometry or Solute Properties
Panel 2 : Fluid Properties or Carrier Fluid Properties
Panel 3 : Boundary Conditions
Solve
Select Graph
Plot Graph
Default Values
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Catalytic Wall Reactor
Objective
Illustrate the interactions between fluid transport and chemical kinetics for a steady-state model of a simple wall-microreactor with a first-order reaction
Channel Dimensions
Length: 10 mm
Height : 1 mm
Input Parameters
• Fluid density & fluid viscosity
• Inlet solute concentrations
• Two choices for boundary conditions
- Specified inlet velocity & outlet pressure
- Specified inlet & outlet pressure
10 mm
A B
Chemistry
Reaction Rate
-rA = k CA
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Model Equations:
Momentum Transport Equations
x- direction:
y-direction:
Convection - Diffusion Equation:
Reaction Kinetics:
A B rate, rA = k CA
x2
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Model Equations and Kinetics
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Catalytic Wall Microreactor Results
Surface Concentration Surface Velocity ProfilesPressure
Results Panel
Tabs
Input
Model Description
Concentration of Reactant Concentration of Product
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T-MicromixerObjective
Illustrate the interactions between fluid transport and chemical kinetics for a steady-state model of a simple T-microreactor with a second-order reaction
Channel Dimensions
Length : 10 mm
Width : 1 mm
Height : 1 mm
Circular Baffles Diameter 0.3 mm
Input Parameters
• Fluid density & fluid viscosity
• Inlet solute concentration
• Two choices for boundary conditions
- Specified inlet velocity & outlet pressure
- Specified inlet & outlet pressure
C0B = CinB mol/m3
C0A = CinA mol/m3
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Model Equations:
Momentum Transport Equations
x- direction:
y-direction:
z-direction:
Convection - Diffusion Equation:
Parameter Estimation:
Mixing Effectiveness
where ρ is the fluid density, η is the fluid viscosity, p is the fluid pressure, D is diffusivity, c is concentration, uavg is average velocity and L, W, H are duct dimensions
02
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Model Equations and Kinetics
2*Wu
DL
avgD
v
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Regular T-Micromixer
Concentration Mixing EffectivenessVelocity
Velocity
Results Panel
Tabs
Input
Model Description
Pressure Concentration
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T-Micromixer with Circular Baffles
Concentration Mixing EffectivenessVelocity
Velocity
Results Panel
Tabs
Input
Model Description
Pressure Concentration
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Conclusions
• COMSOL Multiphysics provides a powerful numerical platform
where various models for microchemical process technology
components can be readily created for both education and research.
• This modeling tool allows chemical engineering students to focus on
understanding the effects of various system design and operational
parameters instead of coding and numerical method debugging.
• The GUIs enable students to readily study the effect of various
design parameters.
• These applications reduces the complexity of model setup and
computational time and emphasize understanding of multiphysics in
multi-dimensions.
• This approach helps students to understand complex chemical
systems using an interactive approach vs laborious manual
calculations or using other software tools.
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Additional SupportingDocumentation
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Main Templatefor an ICC Module
• Provides topical overviewon a given subject.
• Directs user to subsections- Pre test- Topic notes- Examples- Exercises- Post assessment
• Same format for all ICC’s
• Navigation bar with buttonsprovides links to web pages
• Based on Dreamweaver andFlash 8 software tools.
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COMSOL Multiphysics as the Numerical Engine
• Finite Element Method analysis modeling tool
• Equation oriented: Physical systems are described in terms of
governing microscopic forms of transport laws
• Predefined equations (“Application modes”) are available covering a
wide range of physics/multiphysics
• User-defined equations can be added for post calculations
• Modules: Optional application-specific add-ons
• Complete Modeling Package provides:
– Integrated tools for import of 2D or 3D CAD drawings
– Automatic or user-controlled meshing of subdomains
– State-of-the-art solvers for resulting systems of equations
– Postprocessing / Data Import / Export Capabilities
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GUI creation using COMSOL with MATLAB
Input Parameters
Output Results
Layout Creation
.Mph File.MphappFile
Trouble Shooting
Steps Involved in GUI Creation
GUI Creation using COMSOL Application Builder
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Example of Typical GUI Layout
Panel 1 : Input Parameters
Panel 2 : Model Description
Panel 3 : Results
Compute
Image
Tabs for Plots
Default Values
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Pressure
Catalytic Wall Microreactor Results
Results Panel
Tabs
Input
Model Description
Concentration of Reactant Concentration of Product
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Regular T-Micromixer
Velocity
Results Panel
Tabs
Input
Model Description
Pressure Concentration
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T-Micromixer with Circular Baffles
Velocity
Results Panel
Tabs
Input
Model Description
Pressure Concentration
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T-Micromixer with Rectangular Baffles
Surface Velocity Profiles Surface Concentration