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Primer II for Using Aspen Plus process simulation software


Design Calculations
This is the second primer for using Aspen Plus software. It focuses on using design features of the
simulation software and builds on the first Primer. It does not review startup or most other issues
discussed in the first primer.

Aspen can vary column parameters to optimize reflux ratios, mole recoveries, etc. It can also
automatically optimize the number of stages required to minimize, for example, the reboiler duty or
molar reflux ratio. This primer briefly reviews how the problem can be set up for these types of
calculations.

Design Specifications
Within Aspen, design specifications that can be automatically targeted appear in Table 1

Table 1 Summary of Aspen Design specifications


Design Specification Specifies
Stream purity Purity of product, internal, or decanter stream(s)
Component recovery Recovery of component (s) in product stream(s) based on feed stream(s)
Flow rate Flow rate of product, internal, or decanter stream(s)
Component ratio Ratio of flow of component(s) of an internal stream to flow of component (s)
of internal, feed, or product stream(s)
Stage temperature Temperature on a specific stage
Stream property value Property value of a product or internal stream
Stream property difference Difference of two property values based on product or internal stream(s)
Stream property ratio Ratio of two property values based on product or internal stream(s)
Distillate flow rate Distillate flow rate
Bottoms flow rate Bottoms flow rate
Reflux flow rate Reflux flow rate from condenser
Boilup flow rate Boilup flow rate
Reflux ratio Ratio of reflux flow rate to distillate flow rate
Boilup ratio Ratio of boilup flow rate to bottoms flow rate
Condenser duty Condenser duty
Reboiler duty Reboiler duty

Notably absent from this list is the number of stages, which is discussed later. The design
specification is entered in the Design Specification node within the block that defines a distillation
column. Commonly, several design specifications provide a complete design. The specific example here
assumes a 50:50 mixture of n-butanol and isobutanol and uses UNIQUAC thermodynamics models. An
atmospheric-pressure column with a total condenser and with a distillate to feed ratio of 0.5 and a
nominal reflux ratio of 15 should be specified if you want to make quantitative comparisons with this
example. The column in this example has 25 equilibrium stages with the feed on stage 15.
In this example, mole recovery specifies the amount of a feed component recovered in the distillate
and bottoms feeds, respectively. To make such specification:

Figure 1 Data entry dialog box for design specifications.

1. Select New in the Design Specifications dialog box under the Block node of the Data
Browser tree section (see Figure 1).
2. Accept the default name of 1 for this specification
3. Select an appropriate design specification in the next dialog box (Figure 2) from Table
1, in this case the second choice in molar units, or Mole Recovery.
4. Enter the target value for this recovery (0.975) as the target specification.
5. Select the component on which to base this recovery (isobutanol) and the stream to
which it corresponds (2 or distillate) by clicking on the Components and Streams
tabs respectively and selecting the appropriate information (or click on N-> to be
guided to these sheets automatically).
A second design specification (Design Specification 2) should be similarly constructed for
97.5% recovery of n-butanol in the bottoms.
Figure 2 Dialog box for specifying the specifications for Design Specs 1.

Varying Parameters
The parameters to vary to meet the design specifications previously entered in the program
appear in the Vary node of the Block tree. At least one and no more than two varying
parameters are specified in this node. These must be selected from the two operating
specifications established in the column Setup dialog box. In this case, reflux ratio and
distillate to feed ratio where chosen as the operating specifications in the Setup dialog box.
Reflux ratio will vary as the program attempts to meet the design specifications of 97.5%
molar purity in each of the distillate and bottoms feeds. The following procedure outlines how
to make such specifications:
1. Create a new Vary object by selecting New in the Vary dialog box under the Block
node of the Data Browser.
2. Select the design parameter to be varied from the Adjusted Variable drop-down box,
in this case Reflux Ratio.
3. Enter the range over which the design parameter (Reflux Ratio) may be varied to meet
the Design Specifications. In this example, the reflux ratio may vary from 0.5 to 25.

Figure 3 Dialog box for specifying the parameter and its range of variation that should be varied to meet
the design specifications.
The Results tab on this dialog box will display the actual reflux ratio used in the program to
meet the design specification after the computations complete (see next section).

Design Calculation
The program is now prepared to vary the reflux ratio to meet the design specifications. To
initiate this calculation, press the next button (N->). The program will either meet the design
specification or come as close as it can to meeting it within the constraints of the varying
parameter. That is, it will either produce 97.5% pure alcohol streams or it will come as close
as it can by varying the reflux ratio from 0.5 to 25. In this example, it meets the specification
with a reflux ratio of 19.5. The resulting recoveries appear under the Results tabs of the
design specifications (97.5 in both cases) and the resulting reflux ratio appear under the
Results tab of the Vary specification (19.5 in this case).

Optimizing Stages vs. Heat Demand


Since column design often involves varying the number of stages vs. the reboiler or condenser
heat demand or the reflux ratios, Aspen provides an automatic method to analyze this
tradeoff. The NQ Curves node of the Blocks section of the Data Browser tree for a given
column enables these calculations. Begin with the column specifications in the same stage as
it was left after varying Reflux Ratio to meet design specifications. Figure 4 illustrates the
dialog box used to specify parameters for NQ Curves calculations.

Figure 4 NQ Curve object specification in Aspen.


The primary steps in entering these data are as follows:
1. Create a new NQ Curve object by selecting New in the initial dialog box.
2. Accept the default name of 1.
3. In the dialog box (Figure 4), enter the lower and upper limits of the number of stages
you wish to consider in this optimization. The upper limit may not exceed the number
entered in the column Set Up dialog box when the column was first established. For
this example, increase this number to 30. Then set the lower and upper limits to 25
and 30. In this case, the calculations consider columns ranging from 25 to 30 stages.
4. Enter a step size (number of stages by which the column optimization will change) in
the indicated box. This is normally either 1 or 2 1 in this case.
5. Specify the stream number that represents the feed stream.
6. Finally, select a design objective, called the objective function (see below).
In the classical design approach, the objective function is the reboiler duty (or occasionally
the condenser duty) as a function of the number of stages. However, conceptually similar
optimizations can be performed by combinations of heat duties or by varying reflux or other
parameters. The NQ Curves object systematically varies the number of stages and the feed
stage location, finding an optimum feed stage location for each number of stages modeled. It
selects the optimum design based on the design objective (objective function) specified in
this box. That is, it will find the least number of stages and the optimum feed location based
on minimizing the reboiler duty, the reflux ratio, etc.
The program is now prepared to make these calculations. Do so by pressing the next button
(N->). The results of the calculations appear under the results node of the NQ Curves object,
Figure 5 illustrating typical results. The summary data included here (accessed from the Basic
Results tab in the Results node of the NQ Curves object) indicate that a column with 25
stages has an optimal feed location at Stage 13 and a reflux ratio of 19.5 with the indicated
reboiler and condenser duties. Alternatively, a similar separation occurs with 26 stages and
the feed (optimized) at Stage 15 and a reflux ratio of 15.3. The sequence continue through 30
stages, with the feed at Stage 17 and a reflux ratio of 9.1. Each of these calculations includes
an optimal feed stage for the given number of total stages. With such data, designers can
select either taller columns or higher reflux ratios to accomplish a given separation.
Generally, the tradeoff between these two depends primarily on capital vs. operating costs
that is taller towers vs. higher heat/cooling demands in these towers.
Figure 5 Example of optimized number of stages, feed location, and resulting condenser and reboiler duties
and reflux ratios during an NQ Curves calculation.

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