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Added f = EQ_FRAC("AlX3", eq, x$)
Also added synonyms PHASE_FORMULA$ and SPECIES_FORMULA$. git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@7829 1feff8c3-07ed-0310-ac33-dd36852eb9cd
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RELEASE.TXT
65
RELEASE.TXT
@ -1,4 +1,67 @@
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Version @PHREEQC_VER@: @PHREEQC_DATE@
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Version @PHREEQC_VER@: @PHREEQC_DATE@
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--------
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svn 7829
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--------
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Added Basic fuction EQ_FRAC that returns the
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equivalent fraction of a surface or exchange
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species. The three arguments are
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(1) Species name (input),
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(2) Equivalents of exchange or surface sites
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per mole of the species (output),
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(3) The name of the surface or exchange site
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(output).
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For example,
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10 f = EQ_FRAC("AlX3", eq, x$)
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f = equivlalent fraction of AlX3 relative to
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total equivalents of X sites.
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eq = 3.0
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x$ = "X"
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If the species name is not found to be a surface
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or exchange species, the return value is 0,
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the second argument is set to 0, and the third
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argument is set to an empty string.
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Also added synonyms for Basic functions
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PHASE_FORMULA and SPECIES_FORMULA with trailing
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$ signs--PHASE_FORMULA$ and SPECIES_FORMULA$.
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To be consistent with Basic, the functions should
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have $ signs because they return strings.
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--------
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svn 7828
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--------
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Added Basic fuction SPECIES_FORMULA that returns the
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stoichiometry of an aqueous, exchange, or surface
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species. The function returns a string: "aq" for
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aqueous, "ex" for exchange, "surf" for surface,
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and "none" if there is no species of that name.
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The four arguments are
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(1) the name of the species (input),
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(2) the number of elements, including charge (output),
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(3) an string array of element names (output),
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(4) a number array of coefficients corresponding to the elements (output).
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The following example:
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10 name$ = "AlX3"
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20 ty$ = SPECIES_FORMULA(name$, count_s, elt$, coef)
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20 print pad(name$, 15), ty$
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30 for j = 1 to count_s
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40 print pad(blank$, 5), pad(elt$(j),5), str_f$(coef(j), 5, 0)
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50 next j
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Produces the following output:
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AlX3 ex
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Al 1
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X 3
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charge 0
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--------
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svn 7781
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--------
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