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revision 826 by johnpye, Tue Aug 22 01:34:33 2006 UTC revision 1766 by jpye, Mon Apr 7 09:06:56 2008 UTC
# Line 1  Line 1 
1  #LyX 1.4.1 created this file. For more info see http://www.lyx.org/  #LyX 1.5.3 created this file. For more info see http://www.lyx.org/
2  \lyxformat 245  \lyxformat 276
3  \begin_document  \begin_document
4  \begin_header  \begin_header
5  \textclass book  \textclass book
6  \language english  \language english
7  \inputencoding auto  \inputencoding auto
8  \fontscheme default  \font_roman default
9    \font_sans default
10    \font_typewriter default
11    \font_default_family default
12    \font_sc false
13    \font_osf false
14    \font_sf_scale 100
15    \font_tt_scale 100
16  \graphics default  \graphics default
17  \paperfontsize default  \paperfontsize default
18  \spacing single  \spacing single
19  \papersize a4paper  \papersize a4paper
20  \use_geometry false  \use_geometry false
21  \use_amsmath 2  \use_amsmath 2
22    \use_esint 0
23  \cite_engine basic  \cite_engine basic
24  \use_bibtopic false  \use_bibtopic false
25  \paperorientation portrait  \paperorientation portrait
# Line 24  Line 32 
32  \papersides 2  \papersides 2
33  \paperpagestyle default  \paperpagestyle default
34  \tracking_changes false  \tracking_changes false
35  \output_changes true  \output_changes false
36    \author ""
37  \end_header  \end_header
38    
39  \begin_body  \begin_body
40    
41  \begin_layout Chapter  \begin_layout Chapter
42  Defining Variables and Scaling Values  Defining Variables and Scaling Values
43  \begin_inset LatexCommand \label{cha:atoms}  \begin_inset LatexCommand label
44    name "cha:atoms"
45    
46  \end_inset  \end_inset
47    
# Line 50  the purpose of this chapter Line 60  the purpose of this chapter
60    
61  By now you have probably read Chapter\InsetSpace ~  By now you have probably read Chapter\InsetSpace ~
62    
63  \begin_inset LatexCommand \vref{cha:model1}  \begin_inset LatexCommand vref
64    reference "cha:model1"
65    
66  \end_inset  \end_inset
67    
# Line 80  The "Big Picture" of how variables, cons Line 91  The "Big Picture" of how variables, cons
91   You do not need to read about the "Big Picture" in order to read and use   You do not need to read about the "Big Picture" in order to read and use
92   the other parts of this chapter, but you may find it helpful if you are   the other parts of this chapter, but you may find it helpful if you are
93   having trouble writing an equation   having trouble writing an equation
94  \begin_inset LatexCommand \index{equation, writing}  \begin_inset LatexCommand index
95    name "equation, writing"
96    
97  \end_inset  \end_inset
98    
# Line 130  How to define a scaling variable to make Line 142  How to define a scaling variable to make
142    
143  \begin_layout Section  \begin_layout Section
144  The Big Picture: a taxonomy  The Big Picture: a taxonomy
145  \begin_inset LatexCommand \index{taxonomy}  \begin_inset LatexCommand index
146    name "taxonomy"
147    
148  \end_inset  \end_inset
149    
# Line 140  The Big Picture: a taxonomy Line 153  The Big Picture: a taxonomy
153  \begin_layout Standard  \begin_layout Standard
154  As you read in Chapter\InsetSpace ~  As you read in Chapter\InsetSpace ~
155    
156  \begin_inset LatexCommand \ref{cha:model1}  \begin_inset LatexCommand ref
157    reference "cha:model1"
158    
159  \end_inset  \end_inset
160    
# Line 148  As you read in Chapter\InsetSpace ~ Line 162  As you read in Chapter\InsetSpace ~
162   definitions are defined by creating types in an ASCEND language text file   definitions are defined by creating types in an ASCEND language text file
163   that you load into the ASCEND system.   that you load into the ASCEND system.
164   Figure   Figure
165  \begin_inset LatexCommand \ref{fig:atoms.taxonomy}  \begin_inset LatexCommand ref
166    reference "fig:atoms.taxonomy"
167    
168  \end_inset  \end_inset
169    
# Line 174  sideways false Line 189  sideways false
189  status open  status open
190    
191  \begin_layout Standard  \begin_layout Standard
192    \align center
193    
194  \noun off  \noun off
195  \begin_inset Graphics  \begin_inset Graphics
196      filename howto-atomsFig1.eps      filename howto-atomsFig1.eps
197      scale 90      scale 90
     BoundingBox 20bp 0bp 600bp 320bp  
     clip  
198    
199  \end_inset  \end_inset
200    
201    
202  \end_layout  \end_layout
203    
204  \begin_layout Caption  \begin_layout Standard
205  \begin_inset LatexCommand \label{fig:atoms.taxonomy}  \begin_inset Caption
206    
207    \begin_layout Standard
208    \begin_inset LatexCommand label
209    name "fig:atoms.taxonomy"
210    
211  \end_inset  \end_inset
212    
# Line 200  The big picture: how to think about vari Line 218  The big picture: how to think about vari
218    
219  \end_layout  \end_layout
220    
221    \end_inset
222    
223    
224    \end_layout
225    
226  \begin_layout Paragraph  \begin_layout Paragraph
227    
228  \noun off  \noun off
229  \begin_inset LatexCommand \index{atom}  \begin_inset LatexCommand index
230    name "atom"
231    
232  \end_inset  \end_inset
233    
# Line 241  Each subatomic particle instance belongs Line 265  Each subatomic particle instance belongs
265  \end_layout  \end_layout
266    
267  \begin_layout Paragraph  \begin_layout Paragraph
268  \begin_inset LatexCommand \index{constant}  \begin_inset LatexCommand index
269    name "constant"
270    
271  \end_inset  \end_inset
272    
# Line 268  Integer and symbol constants can appear Line 293  Integer and symbol constants can appear
293  \end_layout  \end_layout
294    
295  \begin_layout Paragraph  \begin_layout Paragraph
296  \begin_inset LatexCommand \index{set}  \begin_inset LatexCommand index
297    name "set"
298    
299  \end_inset  \end_inset
300    
# Line 285  Sets are unordered lists of either integ Line 311  Sets are unordered lists of either integ
311  \end_layout  \end_layout
312    
313  \begin_layout Paragraph  \begin_layout Paragraph
314  \begin_inset LatexCommand \index{relationship}  \begin_inset LatexCommand index
315    name "relationship"
316    
317  \end_inset  \end_inset
318    
# Line 294  relationships Line 321  relationships
321    
322  \begin_layout Itemize  \begin_layout Itemize
323  Relations and logical relations allow you to state  Relations and logical relations allow you to state
324  \begin_inset LatexCommand \index{equalities}  \begin_inset LatexCommand index
325    name "equalities"
326    
327  \end_inset  \end_inset
328    
329  equalities and  equalities and
330  \begin_inset LatexCommand \index{inequalitites}  \begin_inset LatexCommand index
331    name "inequalitites"
332    
333  \end_inset  \end_inset
334    
# Line 312  inequalities among the variables and con Line 341  inequalities among the variables and con
341    
342  \begin_layout Standard  \begin_layout Standard
343  Real  Real
344  \begin_inset LatexCommand \index{real}  \begin_inset LatexCommand index
345    name "real"
346    
347  \end_inset  \end_inset
348    
349    
350  \begin_inset LatexCommand \index{relation, real}  \begin_inset LatexCommand index
351    name "relation, real"
352    
353  \end_inset  \end_inset
354    
# Line 329  relations relate the values of real atom Line 360  relations relate the values of real atom
360    
361  \begin_layout Standard  \begin_layout Standard
362  Logical  Logical
363  \begin_inset LatexCommand \index{logical}  \begin_inset LatexCommand index
364    name "logical"
365    
366  \end_inset  \end_inset
367    
368   relations   relations
369  \begin_inset LatexCommand \index{logical relation}  \begin_inset LatexCommand index
370    name "logical relation"
371    
372  \end_inset  \end_inset
373    
# Line 344  Logical Line 377  Logical
377  SATISFIED  SATISFIED
378  \family default  \family default
379    
380  \begin_inset LatexCommand \index{SATISFIED}  \begin_inset LatexCommand index
381    name "SATISFIED"
382    
383  \end_inset  \end_inset
384    
# Line 377  WHEN statements are outside the scope of Line 411  WHEN statements are outside the scope of
411  \end_layout  \end_layout
412    
413  \begin_layout Paragraph  \begin_layout Paragraph
414  \begin_inset LatexCommand \index{model}  \begin_inset LatexCommand index
415    name "model"
416    
417  \end_inset  \end_inset
418    
# Line 392  A model is simply a container for a coll Line 427  A model is simply a container for a coll
427   The container also specifies some of the methods that can be used to manipulate   The container also specifies some of the methods that can be used to manipulate
428   its contents.   its contents.
429   Compiling a model creates an instance of it-- a simulation   Compiling a model creates an instance of it-- a simulation
430  \begin_inset LatexCommand \index{simulation}  \begin_inset LatexCommand index
431    name "simulation"
432    
433  \end_inset  \end_inset
434    
# Line 440  lower_bound Line 476  lower_bound
476    
477  \begin_layout Paragraph  \begin_layout Paragraph
478  Scaling  Scaling
479  \begin_inset LatexCommand \index{scaling}  \begin_inset LatexCommand index
480    name "scaling"
481    
482  \end_inset  \end_inset
483    
# Line 467  solver_var Line 504  solver_var
504  \begin_layout Standard  \begin_layout Standard
505  This is one of the many reasons that scientists and engineers work with  This is one of the many reasons that scientists and engineers work with
506   dimensionless models   dimensionless models
507  \begin_inset LatexCommand \index{dimensionless models}  \begin_inset LatexCommand index
508    name "dimensionless models"
509    
510  \end_inset  \end_inset
511    
# Line 483  This is one of the many reasons that sci Line 521  This is one of the many reasons that sci
521    
522  \begin_layout Section  \begin_layout Section
523  How to find the right variable type  How to find the right variable type
524  \begin_inset LatexCommand \index{type, variable}  \begin_inset LatexCommand index
525    name "type, variable"
526    
527  \end_inset  \end_inset
528    
# Line 585  You now know the name of the variable ty Line 624  You now know the name of the variable ty
624    
625  \begin_layout Section  \begin_layout Section
626  How to define a new type of variable  How to define a new type of variable
627  \begin_inset LatexCommand \index{type, variable}  \begin_inset LatexCommand index
628    name "type, variable"
629    
630  \end_inset  \end_inset
631    
632    
633  \begin_inset LatexCommand \label{ssec:atoms.newVarType}  \begin_inset LatexCommand label
634    name "ssec:atoms.newVarType"
635    
636  \end_inset  \end_inset
637    
# Line 629  ascdata Line 670  ascdata
670  myatoms.a4l  myatoms.a4l
671  \family default  \family default
672   is  the normal location for a personal   is  the normal location for a personal
673  \begin_inset LatexCommand \index{library, personal}  \begin_inset LatexCommand index
674    name "library, personal"
675    
676  \end_inset  \end_inset
677    
# Line 668  If you develop an interesting set of ato Line 710  If you develop an interesting set of ato
710  The user data directory  The user data directory
711  \family typewriter  \family typewriter
712  ~/  ~/
713  \begin_inset LatexCommand \index{ascdata}  \begin_inset LatexCommand index
714    name "ascdata"
715    
716  \end_inset  \end_inset
717    
# Line 676  ascdata Line 719  ascdata
719  \family default  \family default
720   may have a different name if you are running under Windows and do not have   may have a different name if you are running under Windows and do not have
721   the environment variable HOME   the environment variable HOME
722  \begin_inset LatexCommand \index{HOME}  \begin_inset LatexCommand index
723    name "HOME"
724    
725  \end_inset  \end_inset
726    
# Line 780  In picking the name of your atom, rememb Line 824  In picking the name of your atom, rememb
824  ory as possible.  ory as possible.
825   Also avoid choosing a name that ends in _constant (as this is conventionally   Also avoid choosing a name that ends in _constant (as this is conventionally
826   applied only to CONSTANT   applied only to CONSTANT
827  \begin_inset LatexCommand \index{CONSTANT}  \begin_inset LatexCommand index
828    name "CONSTANT"
829    
830  \end_inset  \end_inset
831    
# Line 853  For example, negative temperature just i Line 898  For example, negative temperature just i
898    
899  \begin_layout Subsection  \begin_layout Subsection
900  A new real constant  A new real constant
901  \begin_inset LatexCommand \index{real constant}  \begin_inset LatexCommand index
902    name "real constant"
903    
904  \end_inset  \end_inset
905    
906    
907  \begin_inset LatexCommand \index{constant, real}  \begin_inset LatexCommand index
908    name "constant, real"
909    
910  \end_inset  \end_inset
911    
# Line 910  It is wasteful to define a Line 957  It is wasteful to define a
957  CONSTANT  CONSTANT
958  \family default  \family default
959   type and a compiled object to represent a universal   type and a compiled object to represent a universal
960  \begin_inset LatexCommand \index{universal constant}  \begin_inset LatexCommand index
961    name "universal constant"
962    
963  \end_inset  \end_inset
964    
965    
966  \begin_inset LatexCommand \index{constant, universal}  \begin_inset LatexCommand index
967    name "constant, universal"
968    
969  \end_inset  \end_inset
970    
# Line 924  CONSTANT Line 973  CONSTANT
973   {J/mole/K}, is frequently needed in modeling chemical systems.   {J/mole/K}, is frequently needed in modeling chemical systems.
974   The SI value of R does not vary with its application.   The SI value of R does not vary with its application.
975   Neither does the value of   Neither does the value of
976  \begin_inset LatexCommand \index{pi}  \begin_inset LatexCommand index
977    name "pi"
978    
979  \end_inset  \end_inset
980    
# Line 936  CONSTANT Line 986  CONSTANT
986   Numeric constants of this sort are better represented as a numeric coefficient   Numeric constants of this sort are better represented as a numeric coefficient
987   and an appropriately defined unit conversion.   and an appropriately defined unit conversion.
988   Consider the   Consider the
989  \begin_inset LatexCommand \index{ideal gas law}  \begin_inset LatexCommand index
990    name "ideal gas law"
991    
992  \end_inset  \end_inset
993    
# Line 1013  CONSTANT Line 1064  CONSTANT
1064    
1065  \begin_layout Section  \begin_layout Section
1066  How to define a  How to define a
1067  \begin_inset LatexCommand \index{scaling}  \begin_inset LatexCommand index
1068    name "scaling"
1069    
1070  \end_inset  \end_inset
1071    
# Line 1060  ASCEND uses a combination of symbolic an Line 1112  ASCEND uses a combination of symbolic an
1112   and solve mathematical problems.   and solve mathematical problems.
1113   Once you get the problem close to the solution, ASCEND can internally compute   Once you get the problem close to the solution, ASCEND can internally compute
1114   its own scaling values for relations, known elsewhere as "relation nominals   its own scaling values for relations, known elsewhere as "relation nominals
1115  \begin_inset LatexCommand \index{nominals}  \begin_inset LatexCommand index
1116    name "nominals"
1117    
1118  \end_inset  \end_inset
1119    
# Line 1083  This internal scaling works quite well, Line 1136  This internal scaling works quite well,
1136  scale_self  scale_self
1137  \family default  \family default
1138    
1139  \begin_inset LatexCommand \index{scale\_self}  \begin_inset LatexCommand index
1140    name "scale\\_self"
1141    
1142  \end_inset  \end_inset
1143    
1144   method, which should be written for every model as described in Section\InsetSpace ~   method, which should be written for every model as described in Section\InsetSpace ~
1145    
1146  \begin_inset LatexCommand \ref{sssec:methods.scaleself}  \begin_inset LatexCommand ref
1147    reference "sssec:methods.scaleself"
1148    
1149  \end_inset  \end_inset
1150    
# Line 1097  scale_self Line 1152  scale_self
1152  \noun off  \noun off
1153  \InsetSpace ~  \InsetSpace ~
1154    
1155  \begin_inset LatexCommand \vref{cha:methods}  \begin_inset LatexCommand vref
1156    reference "cha:methods"
1157    
1158  \end_inset  \end_inset
1159    
# Line 1125  Scaling atom default value Line 1181  Scaling atom default value
1181  \end_inset  \end_inset
1182    
1183  The  The
1184  \begin_inset LatexCommand \index{default value}  \begin_inset LatexCommand index
1185    name "default value"
1186    
1187  \end_inset  \end_inset
1188    

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