Episode 58 : Tools Integration Examples
-
Upload
sajjad-khudhur-abbas -
Category
Engineering
-
view
183 -
download
0
Transcript of Episode 58 : Tools Integration Examples
SAJJAD KHUDHUR ABBASCeo , Founder & Head of SHacademyChemical Engineering , Al-Muthanna University, IraqOil & Gas Safety and Health Professional – OSHACADEMYTrainer of Trainers (TOT) - Canadian Center of Human Development
Episode 58 : Tools Integration Examples
Tools Integration: Examples
Lecture 10Problem Solution Through ICAS
Tools Integration (ICAS): Two Examples
* Separation of a binary mixture of Acetone-Chloroform (Determine the
optimal separation scheme)
* Separation of the mixture components from the reactor effluent stream containing
the reactants and products for esterification of methanol with acetic acid (Determine a feasible separation sequence)
Separation of Acetone-chloroform
*Analyze the mixture to generate more information (this will help to define the
issues or intents)
* Generate positions for each issue ,and,arguments (criteria) for each position
* Test the positions through simulation/analysis and make the selection
(step) to obtain the artifact
ICAS: TOOLS (Use only the underlined features)
* Integrated Option/Stand-alone tools
Integrated Option
Modeling, simulation, toolbox (properties utilities, synthesis, modeling, solvent design, data/parameter
estimation)
Stand-alone
ProPred, ProCamd, ModGen, ProSyn, Data
For more details visit http://www.capec.kt.dtu.dk/Software/ICAS-and-its-Tools/
Problem Solution Steps
Problem Definition in ICAS (use of thermo-utilities)1.Enter the ICAS main screen
2. Draw a stream3.Select the compounds in the mixture (if
compounds are not available in the database, useProPred to estimate properties)
4. Define the stream (stream specification page)5. Select calculation options
6. Select thermo-model options7. Start the computations
In the following pages, use of ICAS and PDS are illustrated for acetone-methanol. On the ICAS main screen, draw a stream, then click on the icon for compounds
selection
Select acetone and chloroform and click on OK. Double click on the compound to see their pure component properties.
On return to the ICAS main screen, double click on the stream. The mixture specification screen appears. Give T, P & x. Click on on the top left hand
corner
The calculation options are selected. Simulation is started by clicking on Plots are obtained by clicking on . Before this, options under “what to
plot needs to be selected.
Before the calculations can be started, thermo-models must be selected. First enter the “selection of thermodynamic model” menu.
Then click on “Gamma-Phi” and then “Select Liquid Phase Model” and then select Org UNIFAC VLE and then “default” before returning to the “property utility” menu by clicking OK
VLE-phase diagram (T-xy) for acetone-chloroform is shown below.
Repeat these calculations at different pressures, for example, at 0.5 atm and 5 atm and observe if the location of the azeotrope moves
Tools Integration (ICAS): Example-IMixture Analysis Results
* Azeotropic mixture* Pressure does not affect the azeotropic
point significantly* Totally miscible at azeotrope
New Issue: Separate Chloroform from AcetonePositions: Distillation (V-L), Pressure-swing distillation(V-L at varying P), Solvent based
separation(solvent to break azeotrope)Select (Step): Solvent-based separation
Sub-issue: Select/find solvent
Now we will try to find an extractive agent for separation of the binary azeotrope ! We will use
the CAMD-tool for this purpose. Click on “CAMD” from the ICAS main screen. The
CAMD main screen will be shown. This screen is divided into two parts. The left side is used to
define the problem and the right side is used to show the results. We take the case of Acetone-
Chloroform as an example.
Specify “general problem specification” page. We would like to consider hydrocarbons, alcohols, esters, ketones and aldehydes.
Specify “mixture properties” page
Specify “azeotrope/miscibility calculation” page. We do not want any additional azeotrope !
Click on “GO” to run. Solution found. Information on the solution is given. In the background, the performance of water (defined compound) is shown).
2-methyl heptane has been found as a possible solvent
Now we exit CAMD and go back to the ICAS main screen. Then we will add the new compound to the
defined set of compounds. Then we will have a ternary mixture.
Return to the ICAS main screen and double click on the stream. The stream specification screen appears.
Give T, P and x. Then click on the “thermo” icon.Choose the calculation options and run.
We can also go directly to a tool for analysis of ternary azeotropic mixture (note that we have found a
“cleaner” solvent - benzene is a known solvent !)
Tools Integration (ICAS) : Example-I
Issue: Solvent-based separation (vapor-liquid)
Positions: Benzene (known), 2-methyl heptane (determined through CAMD)
Arguments: Both solvents satisfy solubility properties; benzene has environmental
problem, 2-methyl heptane does not have such a problem
Select (step): Extractive distillation with 2- methyl heptane
* We will now test (validate) the selection
Figure shows the ternary diagram plus location of azeotropes and residue curves obtained through PDS
The final step of the exercise is to verify by simulation if the new solvent performs as well as
benzene in separating the mixture of acetone- chloroform. The flowsheet will consist of two distillation columns. The first column is the
extractive distillation column while the second column will recover the solvent and recycle it back
to the first column. Where will acetone and chloroform come out from (first column or second
column) ? For simulation, Pro-II/Provision has been used as the simulation engine
Figure shows the flowsheet configuration for extractive distillation
Computer Aided Process Engineering - Lecture 10 (R. Gani)
24
Steady state simulation results obtained from the simulation engine
Tools Integration: ICAS (Example-II)
* Generate information related to issues, positions, arguments and steps for separation of
the reactor effluent for esterification of methanol
* Define stream (mixture to be separated) in ICAS
* Click on Process Synthesis in the lower tool-bar
A stream with methanol, methyl acetate, water & acetic acid has been defined
Within CAPSS, the first step is to perform mixture analysis (click on “mix”). The screen below shows the results. This is used to define issues, positions, etc.
The next step is binary ratio matrix. This information is used to define position- argument tables. A ratio value >> 1 indicates feasible separation for some separation
technique
The next step is to identify the feasible separation techniques (positions) and why they are feasible (arguments). Note that the feasibility region for the problem can be define
now.
Now we make a selection (step) for the first separation task (issue). Click on “add to flowsheet” to generate the flowsheet. Click on “view” to see mass balance results.
Through simple mass balance models, separation of stream 1 (issue) by the selected separation technique (position) has been computed. This defines the first artifact.
Repeating the procedure for each new stream, a feasible flowsheet is generated. Adding the alternatives to each separation task (issue), a super-structure can be
generated.
Tools Integration: ICAS (Example -II)
* The final steps involve test/validation (with a simulation engine)
* The test validation may include constraints related to environment, energy,
operation/control in addition to product purity specifications.
Thanks for Watching Please follow me / SAJJAD KHUDHUR ABBAS