EquiExample_2.mac

This is a simple example for getting started.

It prompts (ASK) the user to enter the Equilib Equi*.dat file number (* = 1 to 9999) or 'Cancel' to quit.

It calculates the Equi*.TXT, Equi*.RES, Equi*.FIG, Equi*.TAB, Equi*.XML files and recycles to ASK again.

This is a simple example for getting started.

It prompts (ASK) the user to enter Equilib Equi*.dat file numbers %First and %Last (* is within the range 1 to 9999.

It processes all EQUI*.dat files where * = %First to %Last and calculates the Equi*.TXT and Equi*.RES files.

This is the first (a) of three (a, b & c) Equilib macros where the system is (1-alpha) CH4 (25C,gas) + (alpha) O2 (25C,gas) => Adiabatic flame temperature.

This example demonstrates the three basic macro commands OPEN, CALC, SHOW.

Example (b) illustrates user variables and demonstrates how a macro can prompt the user to specify which type of output he wants - simple calculation or save calculation or show results in various formats.

This is a good example of :

Excel Worksheets

text spreadsheets

DOCASE ... CASE 1 ... CASE 2 ... ENDDO

Example (c) is an advanced macro where the user interacts with an Excel Worksheet and text spreadsheet.

The macro :

opens the the Worksheet Ex_CH4-O2.xls or the text spreadsheet Ex_CH4-O2.txt.

creates a new spreadsheet if one does not exist and fills it with values of Alpha and Delta(H)

loads the Equilib file Ex_CH4-O2, reads Alpha and Delta(H) values from the file, calculates the flame temperature and writes this value back to the spreadsheet.

by an iterative procedure it determines the value of (alpha) that maximizes T. This value is posted on the screen and highlighted in the spreadsheet.

Note: if you want an efficient way to calculate the maximum adiabatic flame temperature of a gas use module FactOptimal.

This example is for advanced users. It shows how to plot equilibrium results and save figures.

Figure 1 - EX_CH4-O2_Figure-1.fig - is a plot of the adiabatic temperature versus the page (1- 21).

defines the variables of the axes and their limits

plots the results

saves the figure.

Figure 2 - EX_CH4-O2_Figure-2.fig - is a plot activity versus page for the 8 most prominent species.

defines the variables of the axes and their limits

identifies the 4 most prominent species with respect to activity

plots the results

saves the figure.

Both figures are then displayed via the VIEWFIG command.

This example is for advanced users. It shows how to define the equilibrium P(O2(g)) and a(C(s)).

The macro :

opens the stored example Ex_CH4-O2.dat - CH4 (25C,gas) + (alpha) O2 (25C,gas) => Adiabatic

identifies O2(g) as an 'ACTIVITY species' and sets P(O2) equilibrium = 1e-5

redefines the amounts of reactant CH4 and O2, defines the final temperature 1600, and defines Delta H (Z) = 'blank' (i.e. the reaction is no longer adiabatic)

calculates the equilibrium and displays the results where P(O2) = 1e-5

drops P(O2) from the ACTIVITY calculation

identifies C(s) as a new 'ACTIVITY species' and defines equilibrium range of values of log(a(C)) = -5 -4 -3 and -2

calculates the equilibrium and displays the results where a(C) = 1e-5, 1e-4, 1e-3 and 1e-2

This macro shows how to execute Command Prompt Windows commands via the macro processing command CMD.

The Command Prompt (or command shell) is a feature of Windows that provides an entry point for typing Windows commands including former MS-DOS commands and is typically only used by advanced users.

Run this macro and the Command Prompt Windows commands will :

• display a list of the Command Prompt commands available on your computer
• display detailed help on the COPY command
• copy all .fig files from the FactSage \FIGURE folder to the Windows temporary folder
• list the copied .fig files stored in the Windows temporary folder
• delete the .fig files stored in the Windows temporary folder

This macro shows user-defined $Functions (FUNCTIONS ... END FUNCTIONS) and subroutines (PROCEDURES ... END PROCEDURES).

In the example we scan the figures and macros folders and return number (%Scan_number) of *.fig and *.mac files.

In addition the size (%Scan_big_size) and name (%Scan_big_name) of the largest file in the folder are determined.

Functions and subroutines perform identical operations except that the $Function also returns a value.
In this example function $My_Total_Files() and subroutine Sub_SCAN_Files() perform the same tasks and $My_Total_Files also returns the total number of files.

Example of scanning a directory and listing the files.

Here we scan for '*.fig' files in the figures directory.

%1 = $SCAN_DIR(c:\FactSage\Figures\*.fig)

This initiates a scan of all c:\FactSage\Figures\*.fig file names.

Value of %1 is the number of files (or '0' if nothing found)

%1 = $SCAN_DIR()

Subsequent calls without the mask return the name of each file.

%1 is the short name of each file or '0' when done.

Examples of the functions :

$FILEDIR(): file directory

$CONSTANT(): constants and conversions

$Functions(): $Abs, $Exp, $Ln, $Log10, $Int, $Fix, $Mod, $Sgn, $Rnd, $RndInt, $Min, $Max, $Mean, $MinI, $MaxI

$MATH(): mathematical expression that includes the operators, + - / * ^, as well the common functions abs(), ln(), log10(), exp(), cos(), sin(), tan(), acos(), asin(), atan(), fix(), int(), sqr(), cbr() and fact().

$ELEMENT_NAME(), $ELEMENT_MASS(), $ELEMENT_NUMBER(), $MOLWT(): chemical functions

Simple example of common thermochemical $variables$ to list the input and calculated values
- note $variables$ are case sensitive.

An advanced example of thermochemical $variables$ including thermochemical, chemical and physical properties for compounds and solutions.

An advanced example of thermochemical $variables$ including solution properties and components.
This is the same as EquiEx_List_Thermo.mac except here the $function codes are also displayed.

This macro uses variables and commands that are new in FactSage 7.0 :

$STRING() function for WRITE and APPEND commands

2-dimensional arrays e.g. %A1(2,3) %B2(0:2,4:6)

dynamic allocation (DIM) and reallocation (REDIM) of %variables

array functions $ARRAY_DIM() $ARRAY_COUNT() $ARRAY_LBOUND() $ARRAY_UBOUND()

$ENUM() function to enumerate the members of an array

user-defined subroutines (PROCEDURES)

user-defined $Functions (FUNCTIONS)

DEBUG /ON to activate 'DEBUG Macro Window', DEBUG 'caption' etc.

TAB_LINE(=) etc tabular commands used in conjunction with APPEND and text files.

This macro lists the .mac files that are new in FactSage 7.1.

After loading an Equi*.dat file and calculating multiple pages of results (for example EquiEx_CH4-O2.DAT has 21 pages of results) this example shows how to accessing each page after multiple pages of results have been calculated.

SET PAGE N // to access a page where N lies between 1 and the total number of pages $PAGES

PROCEDURES // PROCEDURE Sub_AccessPage(%Page) access page %Page

PAUSE // Wait for the user to click 'Go' to resume processing

This example first calculates the adiabatic temperatures for the reaction (1-A) CH4 + (A) O2 and then uses the SET command to change the databases, reactants, species selection and type of calculation. For example:

SET REACTANT DEL CH4 // Delete Reactant CH4

SET REACTANT ADD SO3 liquid #2 // Add new reactant SO3(l) as steam #2

SET REACTANT C2H6 MASS <1-A> // Redefine Reactant masses

SET UNITS TK BAR // Redefine units T(K) and P(bar)

SET FINAL A 0.1 // = 0.5

SET SELECT COMPOUND - // remove all compounds

SET SELECT SOLUTION - // remove all solutions

SET SELECT SOLID + FTdemo C // select FTdemo C solids