- I'm going to demonstrate a virtual catalytic reactor
laboratory that we have created
as a possible substitution for a physical laboratory,
and have given the location of the simulation.
And the idea is that students can take data
and then analyze the data to determine kinetic parameters.
And so the system represents something very similar
to catalytic reactor.
In the lab, it shows two feet gases
and the valves are closed here.
So you can see a blue
and a red section that represents the gas
because this is before the reactor system is started up
in which time these valves are open
and the gas flows through mass flow controllers
and flows through a packed bed reactor
and then goes through a sampling valve such
that when this valve is switched
this volume is injected into a GC, which is then analyzed.
And the idea is
that data can be taken at different pressures
by changing the pressure with the controller here
and can be taken at different flow rates of each gas.
And then that data can be used
to apply non linear regression
and back out kinetic parameters,
there's three kinetic parameters for
this Langmuir-Hinshelwood expression.
So it takes a significant amount of data
get kinetic parameters with reasonable accuracy.
So once someone logs in
the data is kept in data log that they can download
that user can come back at a later time.
Their data will be saved.
Each user has different values of kinetic parameters
and the simulation contains quite a bit
of documentation to explain the details
and also explains non-linear regression.
Now I'll go to the website
and let's look directly at the simulation.
So here's the simulation.
And when I select startup reactor
you'll see that the valves open
start up the gas chromatograph
and we inject the calibration three components
two reactants and one product.
We open a valve so gas flow
goes through the preheater and the reactor
and then through the sampling loop and is exhausted.
And then the system is increasing the temperature
and the sand bath to preset temperature, and now
it's ready to make measurements.
So if I select the sampling valve, then the volume
of gas trapped and that sampling loop is now injected
in a GC and the analysis is displayed on the screen.
And then if I click the GC, it gives the mole fraction
of the two reactants and the products
for this particular condition.
I can make additional measurements
now by changing the flow rate.
This gives the range
the flow rate that can be used.
So I can change this
to a lower flow rate, keep the flow rate of the other
reactant the same.
I can also change the pressure.
So let's increase the pressure
and now I can switch the valve back.
So it's again collecting sample from the reactor.
And once it's done that it's ready
I can click and can see it's making a measurement.
The screen now displays the amplitude of a GC output
and then this shows how much of A is left, how much a B
and then how much a product C forms.
So the idea is the simulation can be used to gather data
arrange conditions
by changing the two flow rates, changing the pressure.
The data then is logged these two measurements,
so I can download this into Excel download as a CSV file.
There's quite a bit
of documentation that explains essentially
the learning objectives.
Those through details
of the simulation shows some assumptions we're making
explains a bit of what I explained to you
of how to get started and talks about how to acquire data.
This is a video of a actual laboratory reactor
system that's doing the same thing.
And here we have a number
of screen casts that one explain
the Langmuir-Hinshelwood mechanism.
And then the others explain non-linear regression
and show how to determine kinetic parameters
and nonlinear regression using, for example
in this case Excel.
And for students
they can submit their answer to their instructor.
Here's some questions that after completing the lab
you should be able to answer.
And this explains who, who did the programming
and some other additional information about the simulation.
So the idea is this,
this probably takes significantly less time collect the data
than an actual laboratory reactor
but there's still significant planning
as to which conditions to pick
and then significant analysis to back
out the kinetic parameters.