1 |
#LyX 1.4.1 created this file. For more info see http://www.lyx.org/ |
2 |
\lyxformat 245 |
3 |
\begin_document |
4 |
\begin_header |
5 |
\textclass book |
6 |
\language english |
7 |
\inputencoding auto |
8 |
\fontscheme default |
9 |
\graphics default |
10 |
\paperfontsize default |
11 |
\spacing single |
12 |
\papersize a4paper |
13 |
\use_geometry false |
14 |
\use_amsmath 2 |
15 |
\cite_engine basic |
16 |
\use_bibtopic false |
17 |
\paperorientation portrait |
18 |
\secnumdepth 3 |
19 |
\tocdepth 3 |
20 |
\paragraph_separation indent |
21 |
\defskip medskip |
22 |
\quotes_language english |
23 |
\papercolumns 1 |
24 |
\papersides 2 |
25 |
\paperpagestyle default |
26 |
\tracking_changes false |
27 |
\output_changes true |
28 |
\end_header |
29 |
|
30 |
\begin_body |
31 |
|
32 |
\begin_layout Chapter |
33 |
Defining Variables and Scaling Values |
34 |
\begin_inset LatexCommand \label{cha:atoms} |
35 |
|
36 |
\end_inset |
37 |
|
38 |
|
39 |
\end_layout |
40 |
|
41 |
\begin_layout Standard |
42 |
\begin_inset Marginal |
43 |
status collapsed |
44 |
|
45 |
\begin_layout Standard |
46 |
the purpose of this chapter |
47 |
\end_layout |
48 |
|
49 |
\end_inset |
50 |
|
51 |
By now you have probably read Chapter\InsetSpace ~ |
52 |
|
53 |
\begin_inset LatexCommand \vref{cha:model1} |
54 |
|
55 |
\end_inset |
56 |
|
57 |
and seen an example of how to create a model using existing variable types |
58 |
in ASCEND. |
59 |
You found that variables of types area, length, mass, mass_density, and |
60 |
volume were needed and that they could be found in the library |
61 |
\family typewriter |
62 |
atoms.a4l |
63 |
\family default |
64 |
. |
65 |
You want to know how to generalize on that; how to use variables, constants, |
66 |
and scaling values in your own models so that the models will be easier |
67 |
to solve. |
68 |
\end_layout |
69 |
|
70 |
\begin_layout Standard |
71 |
This chapter is meant to explain the following things: |
72 |
\end_layout |
73 |
|
74 |
\begin_layout Itemize |
75 |
The "Big Picture" of how variables, constants, and scaling values relate |
76 |
to the rest of the ASCEND IV language and to equations in particular. |
77 |
We'll keep it simple here. |
78 |
More precise explanations for the language purist can be found in our syntax |
79 |
document **syntax.fm5**. |
80 |
You do not need to read about the "Big Picture" in order to read and use |
81 |
the other parts of this chapter, but you may find it helpful if you are |
82 |
having trouble writing an equation |
83 |
\begin_inset LatexCommand \index{equation, writing} |
84 |
|
85 |
\end_inset |
86 |
|
87 |
so that ASCEND will accept it. |
88 |
\end_layout |
89 |
|
90 |
\begin_layout Itemize |
91 |
How to find the type of variable (or constant) you want. |
92 |
We keep a mess of interesting |
93 |
\family typewriter |
94 |
ATOM |
95 |
\family default |
96 |
and |
97 |
\family typewriter |
98 |
CONSTANT |
99 |
\family default |
100 |
definitions in |
101 |
\family typewriter |
102 |
atoms.a4l |
103 |
\family default |
104 |
. |
105 |
We provide tools to search in already loaded libraries to locate the type |
106 |
you need. |
107 |
\end_layout |
108 |
|
109 |
\begin_layout Itemize |
110 |
How to define a new type of variable when we do not have a predefined |
111 |
\family typewriter |
112 |
ATOM |
113 |
\family default |
114 |
or |
115 |
\family typewriter |
116 |
CONSTANT |
117 |
\family default |
118 |
that suits your needs. |
119 |
It is very easy to define your own variable types by copying code into |
120 |
an atoms library of your own from |
121 |
\family typewriter |
122 |
atoms.a4l |
123 |
\family default |
124 |
and then editing the copied definition. |
125 |
\end_layout |
126 |
|
127 |
\begin_layout Itemize |
128 |
How to define a scaling variable to make your equations much easier to solve. |
129 |
\end_layout |
130 |
|
131 |
\begin_layout Section |
132 |
The Big Picture: a taxonomy |
133 |
\begin_inset LatexCommand \index{taxonomy} |
134 |
|
135 |
\end_inset |
136 |
|
137 |
|
138 |
\end_layout |
139 |
|
140 |
\begin_layout Standard |
141 |
As you read in Chapter\InsetSpace ~ |
142 |
|
143 |
\begin_inset LatexCommand \ref{cha:model1} |
144 |
|
145 |
\end_inset |
146 |
|
147 |
, simulations are built from MODEL and ATOM definitions, and MODEL and ATOM |
148 |
definitions are defined by creating types in an ASCEND language text file |
149 |
that you load into the ASCEND system. |
150 |
Figure |
151 |
\begin_inset LatexCommand \ref{fig:atoms.taxonomy} |
152 |
|
153 |
\end_inset |
154 |
|
155 |
|
156 |
\noun off |
157 |
shows the types of objects that can be defined. |
158 |
You can see there are many more types than simply real variables used for |
159 |
writing equations. |
160 |
Some of these types can also be used in equations. |
161 |
You also see that there are three kinds of equations, not simply real relations. |
162 |
Throughout our documentation we call real relations simply "relations" |
163 |
because that is the kind of equation most people are interested in most |
164 |
of the time. |
165 |
Notice that "scaling values" do not appear in this diagram. |
166 |
We will cover scaling values at the end of this The major features of this |
167 |
diagram are: |
168 |
\end_layout |
169 |
|
170 |
\begin_layout Standard |
171 |
\begin_inset Float figure |
172 |
wide false |
173 |
sideways false |
174 |
status open |
175 |
|
176 |
\begin_layout Standard |
177 |
|
178 |
\noun off |
179 |
\begin_inset Graphics |
180 |
filename howto-atomsFig1.eps |
181 |
scale 90 |
182 |
BoundingBox 20bp 0bp 600bp 320bp |
183 |
clip |
184 |
|
185 |
\end_inset |
186 |
|
187 |
|
188 |
\end_layout |
189 |
|
190 |
\begin_layout Caption |
191 |
\begin_inset LatexCommand \label{fig:atoms.taxonomy} |
192 |
|
193 |
\end_inset |
194 |
|
195 |
The big picture: how to think about variables |
196 |
\end_layout |
197 |
|
198 |
\end_inset |
199 |
|
200 |
|
201 |
\end_layout |
202 |
|
203 |
\begin_layout Paragraph |
204 |
|
205 |
\noun off |
206 |
\begin_inset LatexCommand \index{atom} |
207 |
|
208 |
\end_inset |
209 |
|
210 |
|
211 |
\noun default |
212 |
ATOM |
213 |
\end_layout |
214 |
|
215 |
\begin_layout Itemize |
216 |
Any variable quantity for use in relations, logical relations, or when statement |
217 |
s or other computations. |
218 |
These come in the usual programming language flavors real, boolean, symbol, |
219 |
integer. |
220 |
Not all kinds of atoms can be used in all kinds of equations, as we shall |
221 |
explain when describing relations in a little bit. |
222 |
Atoms may be assigned values many times interactively, with the Script |
223 |
ASSIGN statement, with the METHOD := assignment operator, or by an ASCEND |
224 |
client such as a solver. |
225 |
\end_layout |
226 |
|
227 |
\begin_layout Standard |
228 |
An ATOM may have attributes other than its value, such as .fixed in solver_var, |
229 |
but these attributes are not atoms. |
230 |
They are subatomic particles and cannot be used in equations. |
231 |
These attributes are interpretable by ASCEND clients, and assignable by |
232 |
the user in the same ways that the user assigns atom values. |
233 |
\end_layout |
234 |
|
235 |
\begin_layout Standard |
236 |
Each subatomic particle instance belongs to exactly one atom instance (one |
237 |
variable in your compiled simulation). |
238 |
This contrasts with an atom instance which can be shared among several |
239 |
models by passing the atom instance from one model into another or by creating |
240 |
aliases for it. |
241 |
\end_layout |
242 |
|
243 |
\begin_layout Paragraph |
244 |
\begin_inset LatexCommand \index{constant} |
245 |
|
246 |
\end_inset |
247 |
|
248 |
CONSTANT |
249 |
\end_layout |
250 |
|
251 |
\begin_layout Itemize |
252 |
Constants are "variables" that can be assigned no more than once. |
253 |
By convention, all constant types in atoms.a4l have names that end in _constant |
254 |
so that they are not easily confused with atoms. |
255 |
A constant gets a values from the DEFAULT portion of its type definition, |
256 |
by an interactive assignment, or by an assignment in the a model which |
257 |
uses the :== assignment operator. |
258 |
Constants cannot be assigned in a METHOD, nor can they be assigned with |
259 |
the := operator. |
260 |
\end_layout |
261 |
|
262 |
\begin_layout Standard |
263 |
Integer and symbol constants can appear as members of sets or as subscripts |
264 |
of arrays. |
265 |
Integer, boolean, and symbol constants can be used to control SELECT statements |
266 |
which determine your simulation's structure at compile-time or to control |
267 |
SWITCH and WHEN behavior during problem solving . |
268 |
\end_layout |
269 |
|
270 |
\begin_layout Paragraph |
271 |
\begin_inset LatexCommand \index{set} |
272 |
|
273 |
\end_inset |
274 |
|
275 |
set |
276 |
\end_layout |
277 |
|
278 |
\begin_layout Itemize |
279 |
Sets are unordered lists of either integer or symbol constants. |
280 |
A set is assigned its value exactly once. |
281 |
The user interface always presents a set in sorted order, but this is for |
282 |
convenience only. |
283 |
Sets are useful for defining an array range or for writing indexed relations. |
284 |
More about sets and their use can be found in **syntax.fm5**. |
285 |
\end_layout |
286 |
|
287 |
\begin_layout Paragraph |
288 |
\begin_inset LatexCommand \index{relationship} |
289 |
|
290 |
\end_inset |
291 |
|
292 |
relationships |
293 |
\end_layout |
294 |
|
295 |
\begin_layout Itemize |
296 |
Relations and logical relations allow you to state |
297 |
\begin_inset LatexCommand \index{equalities} |
298 |
|
299 |
\end_inset |
300 |
|
301 |
equalities and |
302 |
\begin_inset LatexCommand \index{inequalitites} |
303 |
|
304 |
\end_inset |
305 |
|
306 |
inequalities among the variables and constants in you models. |
307 |
WHEN statements allow you to state relationships among the models and equations |
308 |
which depend on the values of variables in those models. |
309 |
Sets and symbols are not allowed in real or logical relations except when |
310 |
used as array subscripts. |
311 |
\end_layout |
312 |
|
313 |
\begin_layout Standard |
314 |
Real |
315 |
\begin_inset LatexCommand \index{real} |
316 |
|
317 |
\end_inset |
318 |
|
319 |
|
320 |
\begin_inset LatexCommand \index{relation, real} |
321 |
|
322 |
\end_inset |
323 |
|
324 |
relations relate the values of real atoms, real constants, and integer constants. |
325 |
Real relations cannot contain boolean constants and atoms, nor can they |
326 |
contain integer atoms. |
327 |
|
328 |
\end_layout |
329 |
|
330 |
\begin_layout Standard |
331 |
Logical |
332 |
\begin_inset LatexCommand \index{logical} |
333 |
|
334 |
\end_inset |
335 |
|
336 |
relations |
337 |
\begin_inset LatexCommand \index{logical relation} |
338 |
|
339 |
\end_inset |
340 |
|
341 |
relate the values of boolean atoms and boolean constants. |
342 |
The |
343 |
\family typewriter |
344 |
SATISFIED |
345 |
\family default |
346 |
|
347 |
\begin_inset LatexCommand \index{SATISFIED} |
348 |
|
349 |
\end_inset |
350 |
|
351 |
operator makes it possible to include real relations in a logical relation. |
352 |
Neither integer atoms and constants nor real atoms and constants are allowed |
353 |
in logical relations. |
354 |
If you find yourself trying to write an equation with integer atoms, you |
355 |
are really creating a conditional model for which you should use the WHEN |
356 |
statement instead. |
357 |
See **conditional modeling** to learn about how ASCEND represents this |
358 |
kind of mathematical model. |
359 |
There are also a real variable types, solver_integer and solver_binary, |
360 |
which are used to formulate equations when the solver is expected to initially |
361 |
treat the variable as a real value but drive it to an integer or 0-1 value |
362 |
at the solution. |
363 |
The integer programming features of ASCEND are described **elsewhere**. |
364 |
\end_layout |
365 |
|
366 |
\begin_layout Standard |
367 |
Like atoms, real and logical relations may have attributes, subatomic particles |
368 |
for use by ASCEND clients and users. |
369 |
The name of a relation can be used in writing logical relations and WHEN |
370 |
statements. |
371 |
|
372 |
\end_layout |
373 |
|
374 |
\begin_layout Standard |
375 |
WHEN statements are outside the scope of this chapter; please see **conditional |
376 |
modeling** or **syntax.fm5** for the details. |
377 |
\end_layout |
378 |
|
379 |
\begin_layout Paragraph |
380 |
\begin_inset LatexCommand \index{model} |
381 |
|
382 |
\end_inset |
383 |
|
384 |
|
385 |
\family typewriter |
386 |
MODEL |
387 |
\end_layout |
388 |
|
389 |
\begin_layout Itemize |
390 |
A model is simply a container for a collection of atoms, constants, sets, |
391 |
relations, logical relations, when statements, and arrays of any of these. |
392 |
The container also specifies some of the methods that can be used to manipulate |
393 |
its contents. |
394 |
Compiling a model creates an instance of it-- a simulation |
395 |
\begin_inset LatexCommand \index{simulation} |
396 |
|
397 |
\end_inset |
398 |
|
399 |
. |
400 |
\end_layout |
401 |
|
402 |
\begin_layout Paragraph |
403 |
|
404 |
\family typewriter |
405 |
SOLVER_VAR |
406 |
\end_layout |
407 |
|
408 |
\begin_layout Itemize |
409 |
The real atom type |
410 |
\family typewriter |
411 |
solver_var |
412 |
\family default |
413 |
is the type from which all real variables that you want the system to solve |
414 |
for must spring. |
415 |
If you define a real variable using a type which is not a refinement of |
416 |
|
417 |
\family typewriter |
418 |
solver_var |
419 |
\family default |
420 |
, all solvers will treat that variable as an a scaling value or other given |
421 |
constant rather than as a variable. |
422 |
|
423 |
\end_layout |
424 |
|
425 |
\begin_layout Standard |
426 |
Solver_vars have a number of subatomic attributes ( |
427 |
\family typewriter |
428 |
upper_bound |
429 |
\family default |
430 |
, |
431 |
\family typewriter |
432 |
lower_bound |
433 |
\family default |
434 |
, and so forth) that help solvers find the solution of your model. |
435 |
ATOM definitions specify appropriate default values for these attributes |
436 |
that depend on the expected applications of the atom. |
437 |
These attribute values can (and should) be modified by methods in the final |
438 |
application model where the most accurate problem information is available. |
439 |
\end_layout |
440 |
|
441 |
\begin_layout Paragraph |
442 |
Scaling |
443 |
\begin_inset LatexCommand \index{scaling} |
444 |
|
445 |
\end_inset |
446 |
|
447 |
value |
448 |
\end_layout |
449 |
|
450 |
\begin_layout Itemize |
451 |
A real that is not a member of the |
452 |
\family typewriter |
453 |
solver_var |
454 |
\family default |
455 |
family is ignored by the solver. |
456 |
Numerical solvers for problems with many equations in many variables work |
457 |
better if the error computed for each equation (before the system is solved) |
458 |
is of approximately size 1.0. |
459 |
This is most critical when you are starting to solve a new problem at values |
460 |
far, far away from the solution. |
461 |
When the error of one equation is much larger than the errors in the others, |
462 |
that error will skew the behavior of most numerical solvers and will cause |
463 |
poor performance. |
464 |
|
465 |
\end_layout |
466 |
|
467 |
\begin_layout Standard |
468 |
This is one of the many reasons that scientists and engineers work with |
469 |
dimensionless models |
470 |
\begin_inset LatexCommand \index{dimensionless models} |
471 |
|
472 |
\end_inset |
473 |
|
474 |
: the process of scaling the equations into dimensionless form has the effect |
475 |
of making the error of each equation roughly the same size even far away |
476 |
from the solution. |
477 |
It is sometimes easiest to obtain a dimensionless equation by writing the |
478 |
equation in its dimensional form using natural variables and then dividing |
479 |
both sides by an appropriate scaling value. |
480 |
We will see how to define an atom for scaling purposes in the last part |
481 |
of this chapter. |
482 |
\end_layout |
483 |
|
484 |
\begin_layout Section |
485 |
How to find the right variable type |
486 |
\begin_inset LatexCommand \index{type, variable} |
487 |
|
488 |
\end_inset |
489 |
|
490 |
|
491 |
\end_layout |
492 |
|
493 |
\begin_layout Standard |
494 |
The type of real atom you want to use depends first on the dimensionality |
495 |
(length, mass/time, etc.) needed and then on the application in which the |
496 |
atom is going to be used. |
497 |
For example, if you are modeling a moving car and you want an atom type |
498 |
to describe the car's speed, then you need to find an atom with dimensionality |
499 |
length/time or in ASCEND terms L/T. |
500 |
There may be two or three types with this dimensionality, possibly including |
501 |
real_constants, a real scaling value, and an atom derived from solver_var. |
502 |
\end_layout |
503 |
|
504 |
\begin_layout Standard |
505 |
\begin_inset Marginal |
506 |
status collapsed |
507 |
|
508 |
\begin_layout Standard |
509 |
Load atoms.a4l |
510 |
\end_layout |
511 |
|
512 |
\end_inset |
513 |
|
514 |
The first step to finding the variable type needed is to make sure that |
515 |
atoms.a4l is loaded in your Library window from |
516 |
\family typewriter |
517 |
ascend4/models/atoms.a4l |
518 |
\family default |
519 |
. |
520 |
\end_layout |
521 |
|
522 |
\begin_layout Standard |
523 |
\begin_inset Marginal |
524 |
status collapsed |
525 |
|
526 |
\begin_layout Standard |
527 |
Find an ATOM or CONSTANT by units |
528 |
\end_layout |
529 |
|
530 |
\end_inset |
531 |
|
532 |
The next step is to open the "ATOM by units" dialog found in the Library |
533 |
window's Find menu. |
534 |
This dialog asks for the units of the real variable type you want. |
535 |
For our example, speed, you would enter "feet/second," "furlongs/fortnight," |
536 |
"meter^3/second/ft^2" or any other combination of units that corresponds |
537 |
to the dimensionality L/T. |
538 |
|
539 |
\end_layout |
540 |
|
541 |
\begin_layout Standard |
542 |
If the system is able to deduce the dimensionality of the units you have |
543 |
entered, it will return a list of all the currently loaded ATOM and CONSTANT |
544 |
definitions with matching dimensions. |
545 |
It may fail to understand the units, in which case you should try the correspon |
546 |
ding SI units. |
547 |
If it understands the units but there are no matching atoms or constants, |
548 |
you will be duly informed. |
549 |
If there is no atom that meets your needs, you should create one as outlined |
550 |
in **the next section**. |
551 |
\end_layout |
552 |
|
553 |
\begin_layout Standard |
554 |
\begin_inset Marginal |
555 |
status collapsed |
556 |
|
557 |
\begin_layout Standard |
558 |
Selecting the right type |
559 |
\end_layout |
560 |
|
561 |
\end_inset |
562 |
|
563 |
The resulting list of types includes a Code button which will display the |
564 |
definition of any of the types listed once you select (highlight) that |
565 |
type with the mouse. |
566 |
Usually you will need to examine several of the alternatives to see which |
567 |
one is most appropriate to the physics and mathematics of your problem. |
568 |
Compare the default, bounds, and nominal values defined to those you need. |
569 |
Check whether the type you are looking at is a |
570 |
\family typewriter |
571 |
CONSTANT |
572 |
\family default |
573 |
or an |
574 |
\family typewriter |
575 |
ATOM |
576 |
\family default |
577 |
. |
578 |
|
579 |
\end_layout |
580 |
|
581 |
\begin_layout Standard |
582 |
You now know the name of the variable type you need, or you know that you |
583 |
must create a new one to suit your needs. |
584 |
\end_layout |
585 |
|
586 |
\begin_layout Section |
587 |
How to define a new type of variable |
588 |
\begin_inset LatexCommand \index{type, variable} |
589 |
|
590 |
\end_inset |
591 |
|
592 |
|
593 |
\begin_inset LatexCommand \label{ssec:atoms.newVarType} |
594 |
|
595 |
\end_inset |
596 |
|
597 |
|
598 |
\end_layout |
599 |
|
600 |
\begin_layout Standard |
601 |
In this section we will give examples of defining the atom and constant |
602 |
types as well as outline a few exceptional situations when you should NOT |
603 |
define a new type. |
604 |
More examples can be found and copied from |
605 |
\family typewriter |
606 |
atoms.a4l |
607 |
\family default |
608 |
. |
609 |
You should define your new atoms in your personal atoms library. |
610 |
|
611 |
\end_layout |
612 |
|
613 |
\begin_layout Standard |
614 |
\begin_inset Marginal |
615 |
status collapsed |
616 |
|
617 |
\begin_layout Standard |
618 |
Saving customized variable types |
619 |
\end_layout |
620 |
|
621 |
\end_inset |
622 |
|
623 |
The user data file |
624 |
\family typewriter |
625 |
~ |
626 |
\backslash |
627 |
ascdata |
628 |
\backslash |
629 |
myatoms.a4l |
630 |
\family default |
631 |
is the normal location for a personal |
632 |
\begin_inset LatexCommand \index{library, personal} |
633 |
|
634 |
\end_inset |
635 |
|
636 |
library. |
637 |
This file contains the following three lines and then the |
638 |
\family typewriter |
639 |
ATOM |
640 |
\family default |
641 |
and |
642 |
\family typewriter |
643 |
CONSTANT |
644 |
\family default |
645 |
definitions you create. |
646 |
\end_layout |
647 |
|
648 |
\begin_layout LyX-Code |
649 |
REQUIRE "atoms.a4l"; (* loads our atoms first *) |
650 |
\end_layout |
651 |
|
652 |
\begin_layout LyX-Code |
653 |
PROVIDE "myatoms.a4l"; (* registers your library *) |
654 |
\end_layout |
655 |
|
656 |
\begin_layout LyX-Code |
657 |
(* Custom atoms created by <insert your name here> *) |
658 |
\end_layout |
659 |
|
660 |
\begin_layout Standard |
661 |
If you develop an interesting set of atoms for some problem domain outside |
662 |
chemical engineering thermodynamics, please consider mailing it to us through |
663 |
our web page. |
664 |
|
665 |
\end_layout |
666 |
|
667 |
\begin_layout Standard |
668 |
The user data directory |
669 |
\family typewriter |
670 |
~/ |
671 |
\begin_inset LatexCommand \index{ascdata} |
672 |
|
673 |
\end_inset |
674 |
|
675 |
ascdata |
676 |
\family default |
677 |
may have a different name if you are running under Windows and do not have |
678 |
the environment variable HOME |
679 |
\begin_inset LatexCommand \index{HOME} |
680 |
|
681 |
\end_inset |
682 |
|
683 |
defined. |
684 |
It may be something like C: |
685 |
\backslash |
686 |
ascdata or |
687 |
\backslash |
688 |
WINNT |
689 |
\backslash |
690 |
Profiles |
691 |
\backslash |
692 |
Your Name |
693 |
\backslash |
694 |
ascdata. |
695 |
When ASCEND is started, it prints out the name of this directory. |
696 |
\end_layout |
697 |
|
698 |
\begin_layout Standard |
699 |
When you write a |
700 |
\family typewriter |
701 |
MODEL |
702 |
\family default |
703 |
which depends on the definition of your new atoms, do not forget to add |
704 |
the statement |
705 |
\end_layout |
706 |
|
707 |
\begin_layout LyX-Code |
708 |
REQUIRE "myatoms.a4l"; |
709 |
\end_layout |
710 |
|
711 |
\begin_layout Standard |
712 |
at the very top of your model file so that your atoms will be loaded before |
713 |
your model definitions try to use them. |
714 |
\end_layout |
715 |
|
716 |
\begin_layout Subsection |
717 |
A new real variable for solver use |
718 |
\end_layout |
719 |
|
720 |
\begin_layout Standard |
721 |
Suppose you need an atom with units {dollar/ft^2/year} for some equation |
722 |
relating amortized construction costs to building size. |
723 |
Maybe this example is a bit far fetched, but it is a safe bet that our |
724 |
library is not going to have an atom or a constant for these units. |
725 |
Here is the standard incantation for defining a new variable type based |
726 |
on |
727 |
\family typewriter |
728 |
solver_var |
729 |
\family default |
730 |
. |
731 |
ASCEND allows a few permutations on this incantation, but they are of no |
732 |
practical value. |
733 |
The parts of this incantation that are in italics should be changed to |
734 |
match your needs. |
735 |
You can skip the comments, but you |
736 |
\emph on |
737 |
must |
738 |
\emph default |
739 |
include the units of the default on the bounds and nominal. |
740 |
\end_layout |
741 |
|
742 |
\begin_layout LyX-Code |
743 |
ATOM amortized_area_cost |
744 |
\end_layout |
745 |
|
746 |
\begin_layout LyX-Code |
747 |
REFINES solver_var DEFAULT 3.0 {dollar/ft^2/year}; |
748 |
\end_layout |
749 |
|
750 |
\begin_layout LyX-Code |
751 |
lower_bound := 0 {dollar/ft^2/year}; |
752 |
\end_layout |
753 |
|
754 |
\begin_layout LyX-Code |
755 |
(* minimum value *) |
756 |
\end_layout |
757 |
|
758 |
\begin_layout LyX-Code |
759 |
upper_bound := 10000 {dollar/ft^2/year}; |
760 |
\end_layout |
761 |
|
762 |
\begin_layout LyX-Code |
763 |
(* maximum value for any sane application *) |
764 |
\end_layout |
765 |
|
766 |
\begin_layout LyX-Code |
767 |
nominal := 10 {dollar/ft^2/year}; |
768 |
\end_layout |
769 |
|
770 |
\begin_layout LyX-Code |
771 |
(* expected size for all reasonable applications*) |
772 |
\end_layout |
773 |
|
774 |
\begin_layout LyX-Code |
775 |
END amortized_area_cost; |
776 |
\end_layout |
777 |
|
778 |
\begin_layout Standard |
779 |
In picking the name of your atom, remember that names should be as self-explanat |
780 |
ory as possible. |
781 |
Also avoid choosing a name that ends in _constant (as this is conventionally |
782 |
applied only to CONSTANT |
783 |
\begin_inset LatexCommand \index{CONSTANT} |
784 |
|
785 |
\end_inset |
786 |
|
787 |
definitions) or _parameter. |
788 |
Parameter is an extremely ambiguous and therefore useless word. |
789 |
Also remember that the role a variable plays in solving a set of equations |
790 |
depends on how the solver being applied interprets .fixed and other attributes |
791 |
of the variable. |
792 |
\end_layout |
793 |
|
794 |
\begin_layout Standard |
795 |
\begin_inset Marginal |
796 |
status collapsed |
797 |
|
798 |
\begin_layout Standard |
799 |
Exceptions |
800 |
\end_layout |
801 |
|
802 |
\end_inset |
803 |
|
804 |
If an atom type matches all but one of the attributes you need for your |
805 |
problem, say for example the |
806 |
\family typewriter |
807 |
upper_bound |
808 |
\family default |
809 |
is way too high, use the existing variable type and reassign the bound |
810 |
to a more sensible value in the |
811 |
\family typewriter |
812 |
default_self |
813 |
\family default |
814 |
method of the model where the variable is created. |
815 |
Having a dozen atoms defined for the same units gets confusing in short |
816 |
order to anyone you might share your models with. |
817 |
\end_layout |
818 |
|
819 |
\begin_layout Standard |
820 |
The exception to the exception (yes, there always seems to be one of those) |
821 |
is the case of a |
822 |
\family typewriter |
823 |
lower_bound |
824 |
\family default |
825 |
set at zero. |
826 |
Usually a |
827 |
\family typewriter |
828 |
lower_bound |
829 |
\family default |
830 |
of zero indicates that there is something inherently positive about variables |
831 |
of that type. |
832 |
Variables with a bound of this type should not have these physical bounds |
833 |
expanded in an application. |
834 |
Another example of this type of bound is the |
835 |
\family typewriter |
836 |
upper_bound |
837 |
\family default |
838 |
1.0 on the type fraction. |
839 |
\end_layout |
840 |
|
841 |
\begin_layout Standard |
842 |
For example, negative temperature just is not sensible for most physical |
843 |
systems. |
844 |
ASCEND defines a temperature atom for use in equations involving the absolute |
845 |
temperature. |
846 |
On the other hand, a temperature difference, delta T, is frequently negative |
847 |
so a separate atom is defined. |
848 |
Anyone receiving a model written using the two types of atoms, which both |
849 |
have units of {Kelvin}, can easily tell which variables might legitimately |
850 |
take on negative values by noting whether the variable is defined as a |
851 |
temperature or a delta_temperature. |
852 |
\end_layout |
853 |
|
854 |
\begin_layout Subsection |
855 |
A new real constant |
856 |
\begin_inset LatexCommand \index{real constant} |
857 |
|
858 |
\end_inset |
859 |
|
860 |
|
861 |
\begin_inset LatexCommand \index{constant, real} |
862 |
|
863 |
\end_inset |
864 |
|
865 |
type |
866 |
\end_layout |
867 |
|
868 |
\begin_layout Standard |
869 |
Real constants which do not have a default value are usually needed only |
870 |
in libraries of reusable models, such as |
871 |
\family typewriter |
872 |
components.a4l |
873 |
\family default |
874 |
, where the values depend on the end-user's selection from alternatives |
875 |
in a database. |
876 |
The standard incantation to define a new real constant type is: |
877 |
\end_layout |
878 |
|
879 |
\begin_layout LyX-Code |
880 |
CONSTANT |
881 |
\shape italic |
882 |
critical_pressure_constant |
883 |
\end_layout |
884 |
|
885 |
\begin_layout LyX-Code |
886 |
REFINES real_constant DIMENSION |
887 |
\shape italic |
888 |
M/L/T^2 |
889 |
\shape default |
890 |
; |
891 |
\end_layout |
892 |
|
893 |
\begin_layout Standard |
894 |
Here again, the italic parts of this incantation should be redefined for |
895 |
your purpose. |
896 |
\end_layout |
897 |
|
898 |
\begin_layout Standard |
899 |
\begin_inset Marginal |
900 |
status collapsed |
901 |
|
902 |
\begin_layout Standard |
903 |
Universal exceptions and unit conversions |
904 |
\end_layout |
905 |
|
906 |
\end_inset |
907 |
|
908 |
It is wasteful to define a |
909 |
\family typewriter |
910 |
CONSTANT |
911 |
\family default |
912 |
type and a compiled object to represent a universal |
913 |
\begin_inset LatexCommand \index{universal constant} |
914 |
|
915 |
\end_inset |
916 |
|
917 |
|
918 |
\begin_inset LatexCommand \index{constant, universal} |
919 |
|
920 |
\end_inset |
921 |
|
922 |
constant. |
923 |
For example, the thermodynamic gas constant, R = 8.314... |
924 |
{J/mole/K}, is frequently needed in modeling chemical systems. |
925 |
The SI value of R does not vary with its application. |
926 |
Neither does the value of |
927 |
\begin_inset LatexCommand \index{pi} |
928 |
|
929 |
\end_inset |
930 |
|
931 |
|
932 |
\begin_inset Formula $\pi$ |
933 |
\end_inset |
934 |
|
935 |
. |
936 |
Numeric constants of this sort are better represented as a numeric coefficient |
937 |
and an appropriately defined unit conversion. |
938 |
Consider the |
939 |
\begin_inset LatexCommand \index{ideal gas law} |
940 |
|
941 |
\end_inset |
942 |
|
943 |
ideal gas law, PV = NRT and the ASCEND unit conversion {GAS_C} which appears |
944 |
in the library ascend4/models/measures.a4l. |
945 |
This equation should be written: |
946 |
\end_layout |
947 |
|
948 |
\begin_layout LyX-Code |
949 |
P * V = n * 1.0{GAS_C} * T; |
950 |
\end_layout |
951 |
|
952 |
\begin_layout Standard |
953 |
Similarly, area = pi*r^2 should be written |
954 |
\end_layout |
955 |
|
956 |
\begin_layout LyX-Code |
957 |
area = 1{PI} * r^2; |
958 |
\end_layout |
959 |
|
960 |
\begin_layout Standard |
961 |
The coefficient 1 of |
962 |
\family typewriter |
963 |
{GAS_C} |
964 |
\family default |
965 |
and {PI} in these equations takes of the dimensionality of and is multiplied |
966 |
by the conversion factor implied by the |
967 |
\family typewriter |
968 |
UNITS |
969 |
\family default |
970 |
definition for the units. |
971 |
If we check |
972 |
\family typewriter |
973 |
measures.a4l |
974 |
\family default |
975 |
, we find the definition of PI is simply {3.14159...} and the definition of |
976 |
|
977 |
\family typewriter |
978 |
GAS_C |
979 |
\family default |
980 |
is {8.314... |
981 |
J/mole/K} as we ought to expect. |
982 |
\end_layout |
983 |
|
984 |
\begin_layout Standard |
985 |
For historical reasons there are a few universal constant definitions in |
986 |
|
987 |
\family typewriter |
988 |
atoms.a4l |
989 |
\family default |
990 |
. |
991 |
New modelers should not use them; they are only provided to support outdated |
992 |
models that no one has yet taken the time to update. |
993 |
\end_layout |
994 |
|
995 |
\begin_layout Subsection |
996 |
New types for integers, symbols, and booleans |
997 |
\end_layout |
998 |
|
999 |
\begin_layout Standard |
1000 |
The syntax for |
1001 |
\family typewriter |
1002 |
ATOM |
1003 |
\family default |
1004 |
and |
1005 |
\family typewriter |
1006 |
CONSTANT |
1007 |
\family default |
1008 |
definitions of the non-real types is the same as for real number types, |
1009 |
except that units are not involved. |
1010 |
Take your best guess based on the examples above, and you will get it right. |
1011 |
If even that is too hard, more details are given in **syntax.fm5**. |
1012 |
\end_layout |
1013 |
|
1014 |
\begin_layout Section |
1015 |
How to define a |
1016 |
\begin_inset LatexCommand \index{scaling} |
1017 |
|
1018 |
\end_inset |
1019 |
|
1020 |
scaling variable |
1021 |
\end_layout |
1022 |
|
1023 |
\begin_layout Standard |
1024 |
A scaling variable |
1025 |
\family typewriter |
1026 |
ATOM |
1027 |
\family default |
1028 |
is defined with a name that ends in _scale as follows. |
1029 |
Note that this |
1030 |
\family typewriter |
1031 |
ATOM |
1032 |
\family default |
1033 |
does not refine |
1034 |
\family typewriter |
1035 |
solver_var |
1036 |
\family default |
1037 |
, so solvers will not try to change variables of this type during the solution |
1038 |
process. |
1039 |
\end_layout |
1040 |
|
1041 |
\begin_layout LyX-Code |
1042 |
ATOM distance_scale REFINES real DEFAULT 1.0{meter}; |
1043 |
\end_layout |
1044 |
|
1045 |
\begin_layout LyX-Code |
1046 |
END distance_scale; |
1047 |
\end_layout |
1048 |
|
1049 |
\begin_layout Standard |
1050 |
\begin_inset Marginal |
1051 |
status collapsed |
1052 |
|
1053 |
\begin_layout Standard |
1054 |
ASCEND cannot do it all for you |
1055 |
\end_layout |
1056 |
|
1057 |
\end_inset |
1058 |
|
1059 |
ASCEND uses a combination of symbolic and numerical techniques to create |
1060 |
and solve mathematical problems. |
1061 |
Once you get the problem close to the solution, ASCEND can internally compute |
1062 |
its own scaling values for relations, known elsewhere as "relation nominals |
1063 |
\begin_inset LatexCommand \index{nominals} |
1064 |
|
1065 |
\end_inset |
1066 |
|
1067 |
, |
1068 |
\begin_inset Quotes erd |
1069 |
\end_inset |
1070 |
|
1071 |
assuming you have set good values for the .nominal attribute of all the |
1072 |
variables. |
1073 |
It does this by computing the largest additive term in each equation. |
1074 |
The absolute value of this term is a very good scaling value. |
1075 |
\end_layout |
1076 |
|
1077 |
\begin_layout Standard |
1078 |
This internal scaling works quite well, but not when the problem is very |
1079 |
far away from the solution so that the largest additive terms computed |
1080 |
are not at all representative of the physical situation being modeled. |
1081 |
The |
1082 |
\family typewriter |
1083 |
scale_self |
1084 |
\family default |
1085 |
|
1086 |
\begin_inset LatexCommand \index{scale\_self} |
1087 |
|
1088 |
\end_inset |
1089 |
|
1090 |
method, which should be written for every model as described in Section\InsetSpace ~ |
1091 |
|
1092 |
\begin_inset LatexCommand \ref{sssec:methods.scaleself} |
1093 |
|
1094 |
\end_inset |
1095 |
|
1096 |
of Chapter |
1097 |
\noun off |
1098 |
\InsetSpace ~ |
1099 |
|
1100 |
\begin_inset LatexCommand \vref{cha:methods} |
1101 |
|
1102 |
\end_inset |
1103 |
|
1104 |
should set the equation scaling values you have defined in a |
1105 |
\family typewriter |
1106 |
\noun default |
1107 |
MODEL |
1108 |
\family default |
1109 |
\noun off |
1110 |
based on the best available information. |
1111 |
In a chemical engineering flowsheeting problem, for example, information |
1112 |
about a key process material flow should be propagated throughout the process |
1113 |
flowsheet to scale all the other flows, material balance equations, and |
1114 |
energy balance equations. |
1115 |
\end_layout |
1116 |
|
1117 |
\begin_layout Standard |
1118 |
\begin_inset Marginal |
1119 |
status collapsed |
1120 |
|
1121 |
\begin_layout Standard |
1122 |
Scaling atom default value |
1123 |
\end_layout |
1124 |
|
1125 |
\end_inset |
1126 |
|
1127 |
The |
1128 |
\begin_inset LatexCommand \index{default value} |
1129 |
|
1130 |
\end_inset |
1131 |
|
1132 |
default value for any scaling atom should always be 1.0 in appropriate SI |
1133 |
units, so that the scaling will have no effect until you assign a problem |
1134 |
specific value. |
1135 |
Multiplying or dividing both sides of an equation by 1.0 obviously will |
1136 |
not change the mathematical behavior, but you do not want to change the |
1137 |
behavior arbitrarily either-- you want to change it based on problem informatio |
1138 |
n that is not contained in your |
1139 |
\family typewriter |
1140 |
myatoms.a4l |
1141 |
\family default |
1142 |
file. |
1143 |
\end_layout |
1144 |
|
1145 |
\end_body |
1146 |
\end_document |