Page:4SIGHT manual- a computer program for modelling degradation of underground low level waste concrete vaults (IA 4sightmanualcomp5612snyd).pdf/107

31. Initialize solubility array.

soLarray is vital to determining the chemical equilibrium of each element. This procedure also initializes the two ION arrays: anion and cation

⟨Global variables 4⟩ $\equiv$
 int num.cations; 
 int num.anions; 
 SOLARRAY **sol.array; 
 ION *cation; 
 ION *anion;

32. The routine malloc() requires stdlib.h. ⟨Include files 3⟩ $\equiv$

#include <stdlib.h>

33.

⟨Function declarations 23⟩ $\equiv$
 void initialize.ion.data (void);

34. Initializing ion and salt array. The data for the ions and salts is in the file ion.db. Must first determine the number of anions and cations, including OH~ and H + and then allocate memory for anion, cation, and soLarray.

 void initialize_ion-data() 
 { 
   int i, j, k
   FILE *ion.database; /* ion and salt data base */ 
   if ((ion-database = fopen(" ion.db", "rt")) $\equiv \Lambda$) { 
     printf ("\n\ERROR: Unable to open ion db \n\n"); exit/(0); 
   }
   fscanf (ion.database,"%d %d", &num.cations,&num.anions); 
   ⟨Allocate ion and salt arrays 35⟩ 
   ⟨Input ion data 36⟩ 
   ⟨Input salt data 37⟩ 
   fclose(ion.database); 
   ⟨Zero-out ion and salt data 38⟩ 
 }

35. Allocate memory for all of the arrays.

The total number of cations/anions includes ${\ce {OH-}}$ and ${\ce {H+}}$.

⟨Allocate ion and salt arrays 35⟩ $\equiv$
 anion = (ION *) malloc(num.anions * sizeof (ION)); 
 cation = (ION *) malloc(num.cations * sizeof (ION)); /* allocate 2-D array */ 
 soLarray = (SOLARRAY **) malloc(num-cations * sizeof (SOLARRAY *)); 
 for (i = 0; < num.cations', i++) { 
   sol array[i] = (SOLARRAY *) malloc(num.amons * sizeof (SOLARRAY)); 
 }

This code is used in section 34.