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Fluid Dynamic examination of stirred systems using COMSOL Multiphysics

magyarul

About Mixing
Computational Fluid Dynamic models
Description of the application
Access to the applications

About Mixing

Introduction

The stirred vessel is one of the most widely used devices in the industry. There are several way
to sort chemical reactors, for example by operation (batch, half-continuous, continuous), or by
the used impeller type (turbine, jet, blade etc.). The mixing system of the vessel is always an
important angle of design, because the involved processes (chemical reaction, heat or component
transport) need adequate mixing, and phase homogeneity. With the detailed modelling of fluid
dynamics, operation regimes can be determined, and the system can be operating with the
expected efficiency. With the analysis of the involved processes there is a possibility to optimise
the products of a technology, with defining the adequate model parameters.
Industrial reactors are almost always important parts of a working technology, so in some cases it
is difficult to obtain experimental information, and take long time to collect enough data to build
a model. One of the solutions can be the pilot plant experiments, or using Computational Fluid
Dynamics models.
The primary goal of developed website is to introduce mixing, demonstrate the governing
equations which are need to describe mixed system, and present simulation examples
implemented with different methods.

The mixing operation

In the operation of mixing we force two materials to collide, to achieve the predefined value of
the mixing. The goal of the mixing can be:

create homogeneous system;


faster heat exchange;
faster component transport;
chemical reaction intensification.

Based on the characteristics of the mixed fluid, there are self-mixing fluids - often gases, or low
viscosity liquids , that maintain mixing state, or dividing fluids. The working force of the
mixing can be mechanical work, or velocity difference. The goal of the mixing strongly depends
on the state of the material:
Single phase liquids: concentration and temperature equalization, homogenous phase
reaction.
Liquid-liquid extraction: separation of the two liquids.
Fluid with great viscosity: lower the temperature difference near the wall if heating.
Fluid-gas systems: create fluid-gas dispersion, intensify reaction or absorption

In the field of the mixing there is a wide range of mixer equipment. Mechanical mixers use
rotational shaft, and various rotating impeller. The jet mixer uses the injected stream to perform
mixing operation. With static mixers the tube flow makes the vessel more homogeneous. The
figure shows a mechanical impeller (Rushton turbine) and a static mixer (Sulzer mixer).

Dimensionless numbers related to mixing

Dimensionless numbers can characterize a stirred system, and support modelling, design and
scale-up tasks.

Mixing Reynolds number: defining the character of the fluid flow in a stirred tank. It is
fraction of inertia, and viscosity forces. Calculated from Reynolds number.

Mixing Euler number: The fraction of local pressure drop and the volume dependent
kinetic energy.

Froude number: the fraction of the inertia and the gravity force in the mixer (g is the
gravitational acceleration).

Power number: Defining the mixer power need. M refers to the torque of the impeller, N
is the rotational speed, D is the diameter of the vessel.
Dimensionless mixing time (dispersal time): dimensionless number referring to the rate
of mixing. Mostly used with chemical reactions with concentration distribution. In this
case the dimensionless mixing time is the time when the concentration distribution is
within a predefined interval.

Mixing model

The basically used is the laminar models in lower Reynolds number (<4000), but laminar models
have a disadvantage, that only usable with no turbulent flows. Higher Reynolds numbers need
the usage of turbulence models. The table below shows the evolution of the turbulence models
[1].

Turbulence
Desciption Advantages and disadvantages
model
The most widely used model, it is robust, economical, and has
served the engineering community well for many years. Its main
Two variable
advantages are a rapid, stable calculation, and reasonable results
Standard k-E turbulence
for many flows, especially those with high Reynolds number. It is
model
not recommended for highly swirling flows, round jets, or for
flows with strong flow separation.
A modified version of the k-E model, this model yields improved
Reynolds
RNG k-E results for swirling flows and flow separation. It is not well suited
averarged
for round jets, and is not as stable as the standard k-E model.
Another modified version of the k-E model, the realizable k-E
Realizable k-
Modified k-E model correctly predicts the flow in round jets, and is also well
E
suited for swirling flows and flows involving separation.
The full Reynolds stress model provides good predictions for all
types of flows, including swirl, separation, and round and planar
Reynolds
RSM jets. Because it solves transport equations for the Reynolds
stress model
stresses directly, longer calculation times are required than for the
k- E models.
Large eddy simulation is a transient formulation that provides
excellent results for all flow systems. It solves the Navier-Stokes
equations for large scale turbulent fluctuations and models only
the small scale fluctuations (smaller than a computational cell).
Large Eddy
LES Because it is a transient formulation, the required computational
Simulation
resources are considerably larger than those required for the RSM
and k- E style models. In addition, a finer grid is needed to gain
the maximum benefit from the model, and to accurately capture
the turbulence in the smallest, sub-grid scale eddies.
The simulated mixers

Turbine impeller
For multiple mixing duties, especially gas-liquid mixing.
Propeller impeller
Mixing liquids with low and medium viscosity.
Anker impeller
Mixing high viscosity fluids.
Blade impellers
Various mixing related problems.

Computational Fluid Dynamic models

The CFD is the short version of the Computational Fluid Dynamics. Fluid Dynamic problems are
almost every case work with difficult mathematical equations, easier to solve by using numerical
methods, often computers. The CFD is a modern field of science using to examine and analyse
the problem and solve using numerical methods and algorithms. The evolution of computers
made the problem solving more easy and fast, and nowadays the fluid dynamic problems can
solved with relatively good accuracy.

For solving more complex fluid dynamic problems two methods can be used: fluid dynamic
measurement in laboratory, or CFD simulation. These are the major application, but there are
other task specific equipment, such as velocimeters, pressure measurers, and a lot of non-CFD
software. In the early years of the computer era, because the lack of simulation software, for
answering fluid dynamic questions, and solving various problems, researchers used wind tunnel
experiments. Wind tunnel experiments are an excellent tool these days too especially in
automotive industries, and building designs. The first step is to create the miniature model of the
equipment; then well-equipped sensors can detect the changes in the fluid dynamics. There was
one of the best methods to examine fluid dynamic problems, but nowadays CFD methods might
be the better way.

The advantage of the numerical simulation compared to the wind tunnel experiment, that there is
no need to measure every for parameter combination, for a simulation, the measuring only
important for the validation of the models. After proper validation, a well defined model can be
used with several model parameters. The figure below shows one of the applications of the CFD
models a flat bottom stirred tank with propeller impeller solved in COMSOL Multiphysics, with
various post processing methods.
Figure 1 - CFD simulation for a stirred tank containing a propeller impeller in 3D

COMSOL Multiphysics

The COMSOL Multiphysics program package is capable of describing scientific and engineering
problems, via partial different equations. The software is capable of modelling different type of
physical processes with built in equations with information concerning material characteristics,
boundaries, and streams. The software organises the partial different equations to an equation
system. There are three ways to implement a model:

graphical user interface;


MATLAB language.

The software contains partial different equations based on different field of sciences, to model
and simulate phenomenon from scientific and engineering practice. Some examples to use
COMSOL Multiphysics:
acoustic studies;
chemical reactions;
diffusion;
electromagnetics;;
heat transfer;
fluid dynamics;
transport processes.

There is a possibility to connect partial differential equations describing one characteristics or


variable from different geometries. A complex geometry can separate to sub geometries, and
solve with different meshes. The models in the base program were separated into six modules, to
make modelling much easier:

Chemical Engineering Module;


Earth Science Module;
Electromagnetics Module;
Heat Transfer Module
MEMS Module;
Structural Mechanics Module

And there is a CAD import module to support two or three dimensional drawing for complex
geometries. Figure 2 shows the problems solving with COMSOL Multiphysics. After the
determination of the dimension the proper model equations have to define, based on the
complexity and the type of the problem. The next step is the drawing of the geometry, or
importing via CAD module, or older COMSOL files. The next step is defining parameters, initial
conditions, and other subdomain parameters. Then the boundaries have to define such as inlet,
outlet, wall etc. After the proper boundary definitions we have to create a grid, for solving the
problem. After the solving is complete, there are several post processing possibilities to visualize
the results.
Figure 2 - Problem solving in COMSOL Multiphysics

1. Marden Marshall, E. et al., Computational Fluid Mixing, Fluent Inc., 2003.

Description of the application


The web page is designed for compare and examines the dynamic behaviour of stirred systems.
If we want to study mechanic impellers there are multiple parameters to define.

1. The vessel geometry


o flat bottom
o round bottom
o ellipsoid bottom
2. Impeller geometry - must choose one
o turbine impeller
o blade impeller
o anchor impeller
o propeller impeller
3. Rotational speed
o 20 1/min
o 50 1/min
o 100 1/min

After filling the form the next page contain all the chosen possibilities, with streamline results.
By clicking the pictures an animation will be started which shows the result of dynamical
simulation. The results of the mechanical impellers are shown in the form of dynamic simulation.

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