Hello World

Chemical Reaction From my first step (Introduction), I just want to publish my flowsheet, because it is important for understanding the next step:
"Handmade Flowsheet"
On my handmade image you see:

1. Mixer
2. Heat Exchanger
3. Heat Exchanger
4. Reactor
5. Heat Exchanger
6. Vessel
7. Component Separator
8. Component Separator


Click on the image to make it bigger

Material balances can be:
1) Overall balance. Balance about the substance,
2) Partial balance - For one component
3) Elemental balance - for the chemical element or free radical
(for example, the balance of oxygen , carbon, hydrogen, benzolnoho rings, etc.)

Mass balances are used widely in engineering and environmental analyses. For example mass balance theory is used to design chemical reactors, analyse alternative processes to produce chemicals as well as in pollution dispersion models and other models of physical systems. Closely related and complementary analysis techniques include the population balance, energy balance and the somewhat more complex entropy balance. These techniques are required for thorough design and analysis of systems such as the refrigeration cycle.

Now. I will make Mass Balance in program CHEMCAD 5.1 (ChemCAD Tutorial)

1. Run ChemCAD
2. Create new project:
File > New Job
3. Workspace
4. Interface
Main menu:
File, Edit, View, Format, Run Simulation/Edit Flowsheet, Thermo Physical, Specifications, Run, Result, Output, Sizing, Tools, Window, Help.
Toolbar with devices
Component Separator
Compressor and Expander
Divider
Fired Heater
Heat Exchanger
Mixer
Liquid Pump (PUMP)
Shortcut Distillation
Stoichiometric Reactor
Valve
Flash
... and others



We activate it, when press bar:
5. To set Units:
Simulation/Graphic
Press it, and the toolbar apears at the right

Format -> Engineering Units

You can choose: English, Alt SI, SI or Metric
In Ukraine is actual SI Units (International System of Units)
So, press "SI" button and then "OK"

6. draw a flowsheet of chemical processes
We use a toolbar with images of devices.

Good luck to me

Let's some go back and have a look to my handmade picture. I need to do something the same, but it ChemCAD. So... as we see, the main technologic units are: Mixer, Heat Exchanger, Reactor, Vessel, Component Separator. Lets find them all at the graphic toolbar and output on worksheet.

Also we need look for arrows Feed Stream (red arrow) and product Stream (purple arrow)
Feed stream will be Isopropanol and the product - Acetone (the main product), Hydrogen

Connect all units with streams.
Streams have suome rulles:

1. Each stream is coming from one unit to the power to the unit of appointment (destination);
2. Each unit has input and output;
3. To do draw we need to start the flow when the cursor will be in the form of black arrows instead of a small cross;
4. Conclude drawing a stream, you need when the inputs and outputs of technological equipment units will be marked with color;
5. One click the left mouse button is start or finish drawing a flow;

In a 20 minutes I had a result:

Looks good, is not it?

7.Editing Component List
For adding Chemical Elements (Components)

Main Menu: Thermo Physical -> Component List
Attention! At first I was confused that line Component List and other lines below wasn't active but in a few minutes I find a solution - You need to press bar "Simulation/Graphic" or "Run Simulation" in the main menu. Graphic toolbar with units hide but a lot of lines in the menu are available now

Add next components - Isopropanol, Water, Acetone, Hydrogen

8.ThermoPhysical

The choice of thermodynamic properties based on the choice of model or method for calculating vapor-liquid (K-value) phase equilibrium and the choice of method or model for calculating the heat balance (enthalpy). To make a selection using the menus ThermoPhysical.

Program ChaemCAD has more then 50 K-values method and about 12 enthalpy models.
So, we need only to choose aur method.

Main Menu: Thermo Physical -> K-value Option
Choose: UNIFUK
Main Menu: Thermo Physical -> Enthalpy Option
Choose: Latent Heat
9. Specifications of our feed
Main Menu: Specifications -> Feed Streams

Stream Name: Isopropanol
Temp K: 298
Pres Pa: 101300
Other rows will generate automatically. Let see:


10. Properties of equipment[/B]
Now. It's time to advance a properties every unit on our flowsheet

1. Mixer
At the mixer we input a normal pressure. it is: 101300 Pa

Some lyrical retreat about Heat Exchangers in this sheetflow.
We have a three Heat Exchangers, the names and images on the sheet is the same, but naturaly they are very different and make different and important functions.

First Heat Exchanger - rise temperature of the flow no more then for a boiling Isopropanol.
Using Google I find this temperature of boiling point - 82.3 °C, 355 K, 180 °F
Second Heat Exchanger - the goal of this Heater to overheated Isopropanol. Optimal temperature to prepare Isopropanol for reactor in my opinion is 600 K
Third Heat Exchanger - mixture after reactor we need to get cold. So, this heater make role a refrigerator.

2. Heat Exchanger
Input temperature of stream 355.
Another textbox live blank

3. Heat Exchanger
Input temperature of stream 600.
Another textbox live blank

4. Reactor
Exactly in reactor realize the main process and we need to remember our reaction, which I mention at the beginning of article:At first, let's due to our chemical equation input Stoichiometric Coefficients.
Isopropanol = -1; Water = 0; Acetone = 1; Hydrogene = 1;

For Dummies: Stoichiometric Coefficients - numbers at the left of every chem. element. Isopropanol is on another side, than Acetone and Hydrogene, that is why it is equal (-1).

Specify Thermal Mode:
Thermal mode in our case is Isothermal. Cause the temperature is constant. More... in the task, that gave to me my teacher - Arkdiy Markusovich I have an exact temperature: That is why in front of Isothermal I write 720 K.
Key Component:
Only Isopropanol
Frac Conversion:
Fractional Conversion. It is the degree of conversion of one-time moving through the reactor.
Again I remembered that has a task
Randomize integer value and get 87%.
That is meen: Fractional Conversion = 0.87
The end of the story about reactor
Result: 5. Heat Exchanger
Mixture after reactor we need to get cold. optimal temperature will be 200.

6. Vessel
It is so simply named in ChemCAD, in real it is a type of Seperator.

Flash Mode. In the "Flash Mode" choose the second option - Specify T and P, calculate V / F and Heat, which means that the calculation of costs and heat will be conducted during constant the temperature and pressure, and if the temperature and pressure do not indicate they will be the same as Incoming traffic.Split based on. In the "split based on" choose Molar flow rate.
In the "flow rate units" chose kmol/h

7. Component Separator

Separating the columns divide the mixture into two parts. One component will be top of the column and the second bottom. Therefore we need to set the parameters for two outputs.

Top stream: Specify temperature - 200 K
Bottom stream: Dew point temperature
Split Basis: Split Fraction
Split Destination: Specifications (below) refer to top product
Split Fraction:
Isopropanol: 0.04
Water: 0.05
Acetone: 0.999
The line with Hydrogen is empty, because it is move away in the Vessel
8. Component Separator

Top stream: Specify temperature - 370 K
Bottom stream: Dew point temperature
Split Basis: Split Fraction
Split Destination: Specifications (below) refer to top product
Split Fraction:
Isopropanol: 0.999
Water: 0.35
Acetone: 0.999
The line with Hydrogen is empty, because it is move away in the Vessel

11. 1...2...3... Go !!!

Main Menu: Run -> Run All
In new pop-up window I got a message
Recycle calculation has converged.
It is mean that everthing is OK.
If you will have an error, the system will report you in which flow or equipment you have a warning.

12. Report in
To generate report about all flows and streams:
Main Menu: Result -> Stream Composition -> All Streams
Download My Report

The END
Interesting? Isn't it? Why have I published my work here? emm...More... why have I written it in English? Because I don't study nothing that is not intetesting. It become more interesting and in some ways exciting:

1. I practice some English.
2. I practice articles writing. At first scienticfic article.
3. It will be interesting to read it in a few years later on my blog.
4. It written in a form, that transmitting my emotions in this two day.
5. +1 post in my blog. This blog will be 1 year soon, and has only two pages, beacause I wrote here only the most important events of my life. And it is one of them

Thanks for everybody who interested in my article.
Write me comments or mail me artem@meta.ua

Special for www.my.opera.com and NTUU KPI, XTF, KXTP
Thanks to ...
Arkadiy Markusovich, Melnichuk Roman