Calculator General Information The Calculator is a versatile utility module useful for a variety of purposes in flowsheet simulation. Parameters may be retrieved from the flowsheet and calculations performed using a FORTRAN-like language. Parameters may be returned to the flowsheet for use by other unit operations. Some uses for the Calculator include: > Calculating special stream properties Simulating special processing units such as reactors, Determining operating conditions for other unit operations Performing design calculations using flowsheet information Producing special output values for reports Computing utility costs and economic functions Calculating target values for Controllers or objective functions for Flowsheet Optimizers vvvvvy This is by no means an exhaustive list; the usefulness of this module is limited only by the ingenuity of the user. All Calculators have two main sections: Setup and Procedure. In the setup section, unit and stream parameters are retrieved from the flowsheet, constants are defined, names are assigned to calculated results, a sequence table is set up for the streams used for input and output, and the dimensions for the various working arrays may be expanded if desired. ‘The Procedure section is where all calculations are performed, using a simple language based on FORTRAN 77. The language permits the use of mathematical functions, branching and looping, and assignment statements commonly used in programming. Special intrinsic functions are available for retrieving flowsheet component and stream information. Special subroutines are provided for storing calculated results directly in flowsheet streams. Calculated results may also be stored in the *Results” array, making them available to the other unit operations in PRO/II. A special solution “flag” is provided for use when a Calculator models a unit operation. Chapter 9 Unit Operations and Utility Modules 149Calculator Setup Start Setup by clicking Edit/View Declarations on the Calculator main data entry window to open the View Area: > Click Paramitersill to retrieve flowsheet parameters into the Calculator. These variables are accessed in the Calculator procedure as elements of array P. Click the Calculator parameter linked text to open the Definition window where you can specify the stream or unit flowsheet parameter to be retrieved. The format for this window is identical to that used for the DEFINE and is described in the SPEC/VARY/DEFINE section of this chapter. In this window, you will find a list of the unit and stream parameters that may be retrieved via DEFINE. Click Constants... to enter the constant values. These variables are accessed in the Calculator procedure as elements of array C. Although you can enter constants directly in the procedure, this array provides a means for collecting constants that need to be updated occasionally into a common location. Click RESUItS!., to enter names for the Calculator results. These values are accessed in the Calculator procedure as elements of array R. These names will be used in the output report. Click Stream Sequences to define an ordered table of flowsheet streams. There are two functions for this table, First, it provides a necessary link between the procedure and the flowsheet streams for information flow. Second, a calculation loop may be performed in the procedure for a range of streams, using the positions of the streams in the table to control the loop order. Click Arraysill to declare the length of the storage arrays used by the Calculator. These arrays include the P, C, R arrays defined above, and the IS array that is used to hold stream variables. This array is described in the Calculator Procedure discussion. Two additional arrays appear here. In earlier versions of the Calculator, all local variables had to reside in one of these arrays, V for real variables and IX for integers. Now that any valid FORTRAN variable name can be used, these arrays are no longer needed. Nonetheless, they are stil available so that older Calculators will work without rewriting. Once Setup is complete, click Hide Declarations to close the View Area. 150 PRO/Il User Guide March 2008Calculator Procedure Note: The PROCEDURE section is required and must end with a RETURN statement. ‘The FORTRAN procedure is entered directly into the Procedure field on the Calculator main data entry window. The procedure may be checked as is it composed by clicking Check Procedure The supported features of the language are discussed in the following sections. Elements of the Language Each statement may contain up to 80 characters. The ampersand (&) at the end of a line denotes continuation of a statement on the following line. Note that an asterisk (*) is not valid as a continuation marker, since it signifies multiplication. All lines of code except the PROCEDURE statement may be preceded by a unique numeric label from 1 to 99999 (shown as “nn” in this manual). A dollar sign ($) causes all following characters on the remainder of the line to be interpreted as a comment rather than as code. Unlike in FORTRAN, a “C” in column one does not designate a comment statement. Predefined Variables Definitions of predefined variables, including default dimensions for arrays, appear in the following table. Use a DIMENSION statement in the Calculator setup section to reset the number of elements in each array. Arrays C, P, V, and R store values in floating-point form. Array IX stores integer values. Forms of use include: An where Ais any of C, P, V, R, or B, and nis an integer that indicates a single element of the array. A(index) Ais any of C, P, V, R, or B, and (index) is an expression, such as (IX2 * 5). The parentheses are required. “A(n)" denotes the same element as "An’. Instead of, or in addition to the supplied V and IX arrays, standard FORTRAN, variables may be used. They may be up to 8 characters long and may not duplicate the names of any supplied variables; otherwise they follow the conventional FORTRAN rules. The introduction of this feature in PRO/II 5.0 means that the V and IX arrays need not be used. If this is the case, the arrays can be dimensioned to one word each to save memory. Chapter 9 Unit Operations and Utility Modules 151Array "IS" is normally used as the index of a DO loop to step through a sequence of streams in the order defined on the SEQUENCE statement. It may serve as the stream index in PRO/II intrinsic functions. The only form allowed is ISn. IS(index) is never valid. Pena ene Variable | Default Name (for arrays) Description and Comments and Form Cn or 1 Open the Calculator main data entry window by double-clicking the Calculator icon on the PFD. > Click Edi/View Declarations to display the View Area box. Click Parameters to display the Parameters data entry table. > Enter a number in the Parameter Number data entry field to enable the Calculator Parameter linked text. Click on the linked text to open the Definitions window. > Check the Set Up Definition for Calculator Parameter P(1) box to enable the “Calculator Parameter = Parameter’ linked text. > Click the Parameter... hypertext to open the Parameter window where you can specify whether the parameter will be a constant, a stream parameter or a unit parameter. The Constan/Stream/Unit list box displays a list with the options “Constant,” “Stream” and the various types of unit operations that have been placed on the flowsheet. > For this sample problem, select the Stream option and choose V1 from the Stream Name: drop-down list box. Choosing a stream name enables the Parameter... hypertext. > Click the linked text to open the Parameter Selection data entry window. > For this sample, choose Distilation Curve from the options in the Parameter window. The center window will now display the available distillation curve options. Select D86 from the distillation curve options and choose the desired cut point (here, 10%) from the Volume Percent Distillate drop-down list box. 162 PROIII User Guide March 2008This completes the parameter specification for the D86(10%) point of the first. stream, V1. Repeat these steps to define the D86(Initial Point) for the first stream, V1, then define the D86(10%) and D86(Initial Point) for the remaining five streams. Chapter 9 > Enter the following code into the Procedure window (at this point, this window should still be outlined in red). DIMENSION D8610(6), D86IP(6) O10 I= $ $ COPY PARAMETERS TO LOCAL ARRAYS, § CONVERTING TO DEG F D8610(l) = P(2"I-1) * 1.8 + 32. DBsIP(!) = P(2*1-1) * 1.8 +32, $ § EVALUATE FORMULA D8GAVG = (D8610(!) + D86IP(I)) /2. FP = (D8GAVG * .64 - 100. $ $ CONVERT BACK TO DEG C AND STORE RO) = (FP -32.) 1.8 40 CONTINUE RETURN > Commit the code by clicking OK. Unit Operations and Utility Modules 163Example 2: Material Balancing with the Calculator This sample demonstrates the use of the Calculator to compute the material balance of hydrogen (component 2) about a recycle loop. We will set the solution flag to indicate “unit not solved" if the hydrogen balance is not met to within 0.01% based on the overall feeds. This specification forces the recycle to continue iterating, even if the flowing streams have changed less than the fiowsheet stream tolerance. See the ISOLVE and ISn entries in the Predefined Variables table on page 152 for a listing of solution flags and for an explanation of the use of the Isn variable in SEQUENCE staternents, Before entering the procedure code, we must: > Establish the Stream Sequence for the recycle loop. > Provide a label for the Result. Establishing the Stream Sequence: The streams pertinent to this example are a hydrogen feed stream (H2FD), two feed streams (FD1, FD2), a purge gas stream (PURG), and vapor and liquid product streams (PRDV, PRDL). To set up the stream sequence that will be used by the Calculator, carry out the following steps: > Open the Calculator main data entry window by double-clicking the Calculator icon. > Click Stream Sequence to display two windows, one containing a list of Available Streams and the other a list of Selected Streams, & Add the streams H2FD, FD1, FD2, PURG, PRDV and PRDL in the given order. If you add the streams in the wrong order, you can easily change their sequence by removing the improperly posit Selected Streams window and reinserting it before or after the appropriate stream that you have highlighted in the Selected Streams window. Labeling the Result: > When you have established the desired stream sequence, click Results to display the Result Number and Print Name data entry table. > Enter "1" in the Result Number field of the first row to enable the Print Name entry field. This integer is stored in the first position of the R() array. For this sample problem, call the result “Relative MB.” > Enter the following code into the Procedure window, which should stil be outlined in red at this point: 164 PRO/II User Guide March 2008$ SUM UP H2 IN FEED STREAMS '§ HYDROGEN IS THE SECOND COMPONENT IN THE COMPONENT LIST '$§ SCMR(2, n) IS THE MOLAR FLOWRATE IN THE nth STREAM H2FEED =0.0 DO 10 ISt = H2FD, FD2 H2FEED = H2FEED + SCMR(2,IS1) 10 CONTINUE $ $ CHECK IF ANY H2 IN FEED. IF NOT, SET “NOT SOLVED” FLAG. $ IF (H2FEED .LT. 0.0001) THEN R(1)=0 ISOLVE =2 GOTO 99 ENDIF s § SUM UP H2 IN PRODUCTS $ H2PROD= 0.0 DO 20 IS1 = PURG, PRDL H2PROD = H2PROD + SCMR(2, IS1) 20 CONTINUE $ CALCULATE IMBALANCE s R(1) = (H2FEED - H2PROD) / H2FEED $ § CHECK IF IN BALANCE. IF SO, RETURN. $ IF NOT, SET “NOT SOLVED” FLAG. s IF(ABS(R(1)).LE.0.001) THEN ISOLVE =1 ELSE ISOLVE =2 ENDIF s 99 RETURN Chapter 9 Unit Operations and Utility Modules 165This page intentionally is left blank. 166 PRO/II User Guide March 2008