Miscellaneous Examples

This directory includes a number of small examples that explain how to initialize operations that
record data as a function of time and other special cases. The following table provides a brief
description of the various example files included in this directory.

File Description
BKinF8_0 It explains how to initialize batch kinetic fermentation operations and
keep track of concentration profiles of reactants and products.
BKinR8_0 This example clarifies points related to the initialization of the following
operations: batch kinetic reaction, batch extraction, vaporization,
crystallization, filtration, and drying.
EqlR8_0 This example explains how to use an equilibrium reaction for calculating
the extent of crystallization or precipitation.
BtchD8_0 It explains how to initialize the batch distillation operation and keep
track of concentration profiles in the pot and the receiver tanks.
PulOp8_0 It explains how to use Pull In and Pull Out operations.
MxPrp8_0 It explains how to use the Mixture Preparation (Mixture-Prep)
procedure.
FedBR8_0 It explains how to initialize the Fed-Batch option in a Kinetic Reaction
operation.

Batch Kinetic Fermentation Example (File BKinF8_0)

This example explains how to use a batch kinetic fermentation operation to calculate and view the
profiles of reactants and products in the broth during a batch fermentation operation. The table
below provides the stoichiometric coefficients of the overall reaction. This information typically
comes from experimental data.

Reactants Products
Component Stoich. Coeff. Component Stoich. Coeff.
Media 100.00 Biomass 28.00
Oxygen 70.00 Carb. Dioxide 70.00
- - Impurity 10.00
- - MAB 2.00
- - Water 60.00

The kinetic data are specified through the following dialog:

The calculated reaction rate refers to Biomass formation (dX/dt) since Biomass was selected as the
Rate Reference Component. Media is the only substrate with a Ks value of 35 mg/L.

Information about the recorded variables is specified through the Profiles tab of the batch kinetic
fermentation operation (shown below). In this case, we decided to record the values of Biomass,
MAB (the product), and Media (the main reactant). The user also has the option to specify the
number of point sets and the unit of the variables.
To generate the data, you write click on the fermentation procedure and select Dynamic Data
Records \ FERMENT-1 \ Save in Excel Formatted File. This generates a tab-delimited file
that can be opened with Excel (and other spreadsheets) for plotting. The data file (data is its
default name) will be saved, by default, in the same directory where your SuperPro file resides.
The table below shows how the data look in Excel.

Concentration
 Time Biomass MA Media
(h) (g/L) B (g/L) (g/L)
0 0.6329 0 47.4692
1.2 0.804 0.0122 46.8295
2.4 1.0212 0.0278 46.0175
3.6 1.2967 0.0475 44.9871
4.8 1.6462 0.0725 43.6803
6 2.0892 0.1042 42.0236
7.2 2.6504 0.1444 39.9252
8.4 3.3606 0.1953 37.2695
9.6 4.2583 0.2595 33.9129
10.8 5.3909 0.3406 29.6776
12 6.8174 0.4427 24.3436
13.2 8.6096 0.571 17.642
14.4 10.8527 0.7315 9.2545
15.6 13.3276 0.9087 0
16.8 13.3276 0.9087 0
18 13.3276 0.9087 0
19.2 13.3276 0.9087 0
20.4 13.3276 0.9087 0
21.6 13.3276 0.9087 0
22.8 13.3276 0.9087 0
24 13.3276 0.9087 0

The data can be easily plotted using Excel. The actual graph is provided on the SuperPro
flowsheet.

Batch Kinetic Reaction-Extraction Example (File BkinR8_0)

This example clarifies points related to the initialization of the following operations: batch kinetic
reaction, batch extraction, vaporization, crystallization, filtration, and drying.
Batch Reaction (procedure P-1 in V-101)
Adequate information is provided on the flowsheet for the initialization of the two batch kinetic
reactions in REACT-1 of P-1. Please note that both reactions are part of the same reaction
operation. For info on how to generate the profiles, please study the Batch Kinetic Fermentation
example (see above) and the information provided on the flowsheet of that example.
Batch Extraction (procedure P-2 in V-102)
In P-2, acetone is used to extract the product, C, from the aqueous phase. The Agitation operation
(AGITATE-1) represents the mixing of the two phases. The Holding operation (HOLD-1)
represents the time required for the two phases to settle. The Batch Extraction operation
(EXTRACT-1) handles the actual phase split and the removal of the bottom (aqueous phase). The
material balances (phase split) for the batch extraction operation can be based on partition
coefficients or component splits (partition coefficients in this case). This is determined by selecting
the appropriate option in the Material Balances Based On box of the Oper.Conds tab (the left-
most tab) of the batch extraction operation
Vaporization/Concentration and Crystallization (procedure P-3 in V-101)
In P-3, the product solution is first concentrated by vaporizing 50% of acetone (VAPORIZE-1).
The condensed solution is cooled to 5 oC and the product, C, crystallizes (CRYSTALLIZE-1).
Crystallization was modeled with a Batch Crystallization operation. C-cryst represents the
crystalline form of C and B-cryst represents the crystalline form of B (note that C-cryst and B-
cryst are different components). The crystallization yield of C, Yc, is 95% (specified as such by the
user on the Crystal.Data tab). The co-crystallization yield of B, Yb, is 0.1 (or 10%) of the
crystallization yield of C. This is determined by the value of parameter A (0.1) that corresponds to
component B. In general,

Yb = A + B(Yc) + C(Yc)2

A, B, C are the parameters displayed on the Crystal.Data tab for the various components that
crystallize. Please note that there is no need to specify values for A, B, and C for the main product
(C in this case) that crystallizes. The crystallization yield on the main product is specified explicitly
using the Crystallization Yield variable.
Please note that procedure P-3 utilizes the same equipment (vessel V-101) as procedure P-1. This
can be visualized using the Equipment Utilization chart, a copy of which is displayed on the
flowsheet. Please read the notes underneath the chart for further explanations.
Filtration, Cake Wash and Drying (Procedure P-4 in NFD-101)
In P-4, the slurry is first filtered (using a Nutsche filter/dryer), the cake is washed with acetone,
and dried (using N2 as inert gas).

Equilibrium Reaction Example (File EquilR8_0)

This example explains how to use an equilibrium reaction for calculating the extent of
crystallization or precipitation. Detailed descriptive text is provided on the flowsheet. In this
example we have used a batch equilibrium reaction in the context of a vessel procedure. For a
continuous process, one could use a continuous equilibrium reaction.

Batch Distillation Example (File BtchD8_0)

The flowsheet of this example includes a vessel procedure (P-1 in V-101) where a reaction takes
place, a basket centrifugation procedure (P-2 in BCF-101) for removing the solid product
(component C), and finally a batch distillation procedure (P-3 in V-102) for fractionating the
solvent mixture containing Acetone, Heptane, Water, and small amounts of non-volatile solutes (A,
B, and C). The rest of this section will focus on the description of the batch distillation procedure
and operation.
First, through the Oper.Conds tab (see below), the user identifies the Non-Volatile components
(A, B, and C in this case) that remain in the bottoms stream.
IMPORTANT NOTICE If gaseous components (e.g., O2, N2) are present in the feed to the
distillation column, the distillation algorithm may take longer or even fail to converge. If you run
into that problem, you may want to remove the gaseous components from the feed stream using a
Component Splitter.
The duration of the distillation operation is either specified by the user or calculated based on the
vaporization rate (for each operating period) specified through the Oper.Period tab (see below).
A batch distillation operation may have any number of Operating Periods specified through the
Oper.Period tab (see below). For each period the user specifies the Reflux Ratio, the Vapor Rate
(if the operation time is not specified by the user), the Mole% Distilled (based on total moles at the
end of its previous operating period), and the output stream through which part of the condensed
distillate is removed (the portion that is not sent back to the pot due to reflux).
The Profiles tab (see below) is used to specify parameters for the recorded variables. In this
case, we selected to track the composition (in mole%) of Acetone, Heptane, and Water (not shown
on the table) in the Receiver and the Bottoms.
To generate the data, you write click on the distillation procedure and select Dynamic Data
Records \ DISTILL-1 \ Save in Excel Formatted File. This generates a tab-delimited file that
can be opened with Excel (and other spreadsheets) for plotting. The data file will be saved, by
default, in the same directory where your SuperPro file resides. The table below shows how the
results look in Excel.

Molar Composition of the

 Receiver
Time Acetone Heptane Water
(min) (%) (%) (%)
0 99.955 0.0401 0.0049
42.7694 99.9536 0.0413 0.0051
84.2686 99.9525 0.0423 0.0052
111.2476 99.9518 0.0429 0.0053
150.7129 99.9507 0.0439 0.0054
189.006 99.9495 0.045 0.0055
226.1618 99.9483 0.046 0.0057
262.214 99.947 0.0472 0.0058
297.1954 99.9457 0.0483 0.0059
331.1379 99.9444 0.0495 0.0061
364.0722 99.943 0.0507 0.0063
396.0283 99.9416 0.052 0.0064
437.165 99.9396 0.0538 0.0067
476.6807 99.9374 0.0557 0.0069
505.2922 99.9357 0.0572 0.0071
542.1234 99.9334 0.0593 0.0074
577.5034 99.9309 0.0615 0.0077
619.7743 99.9275 0.0645 0.008
652.0944 99.9245 0.0671 0.0084
690.7096 99.9205 0.0706 0.0089

Molar Composition of the

Bottoms
Time Acetone Heptane Water
(min) (%) (%) (%)
0 75.3143 15.7043 8.9814
42.7694 74.56 16.1838 9.2562
84.2686 73.7828 16.6778 9.5394
111.2476 73.2515 17.0156 9.733
150.7129 72.4343 17.535 10.0307
189.006 71.5921 18.0703 10.3376
226.1618 70.7243 18.6219 10.6538
262.214 69.83 19.1902 10.9797
297.1954 68.9084 19.776 11.3156
331.1379 67.9587 20.3795 11.6618
364.0722 66.9801 21.0014 12.0185
396.0283 65.9716 21.6423 12.3861
437.165 64.5789 22.5272 12.8939
476.6807 63.1294 23.4482 13.4224
505.2922 62.0036 24.1635 13.833
542.1234 60.4489 25.1511 14.3999
577.5034 58.8309 26.179 14.9901
619.7743 56.7152 27.5228 15.762
652.0944 54.9449 28.6471 16.408
690.7096 52.6304 30.1169 17.2527
The data can be easily plotted using Excel. The actual graph for the Bottoms composition is
provided on the SuperPro flowsheet of this example.
The composition profiles also depend on the number of trays of the fractionation column that is
attached to the pot. The number of trays is specified through the Equipment Data dialog that is
displayed by right clicking on the batch distillation icon and selecting Equipment Data. In this
case it was assumed that the fractionation column has 5 (five) trays.

Please note that the Batch Distillation operation (DISTILL) is also available in the context of
Vessel Procedures.
IMPORTANT NOTICE If you simply wish to remove a solvent (or solvents) to concentrate a
mixture, we recommend that you use the Vaporize / Concentrate operation which is simpler to
initialize and does not perform iterative calculations. The Distill operation should be reserved for
cases where you wish to fractionate a mixture of solvents.

Pull Operations Example (File PulOp8_0)

This example explains when and how to use Pull-In and Pull-Out operations. Detailed descriptive
text is provided on the flowsheet.
Mixture Making Example (File MxPrp8_0)
This example explains how to use the Mixture Preparation procedure. Detailed descriptive text is
provided on the flowsheet.

Fed-Batch Option in a Reaction Example (File FedBR8_0)

This example demonstrates the use of the Fed-Batch option when using a kinetic reaction
operation. The Fed-Batch option, allows the user to simulate the simultaneous feeding of one (or
more) reactants, as the reaction is proceeding. Detailed descriptive test is provided on the
flowsheet.