public Chromato(Analyte givenAnalyte,
double givenInjectedConc,
double givenLenColumn,
int givenDivColumn,
double givenVelElu,
double givenTTotal,
double givenDt)
{
/* primary parameters set */
analyte = givenAnalyte;
injectedConc = givenInjectedConc;
lenColumn = givenLenColumn;
divColumn = givenDivColumn;
velElu = givenVelElu;
tTotal = givenTTotal;
dt = givenDt;
/* secondary paramers calculated and set*/
dL = lenColumn / divColumn;
translCount = (int)(dL / (velElu * analyte.rTransl * dt));
numTransl = (int)(tTotal * velElu * analyte.rTransl / dL);
numCells = numTransl + divColumn + 1;
/* cells allocated and initialized */
c = new double[numCells];
idxHead = divColumn - 1;
idxTail = 0;
c[idxHead + 1] = injectedConc;
}
static void Main()
{
int clock;
double injectedConc1 = 1.0; //M
double lenColumn = 10.0 / 100.0; //m
int divColumn = 1000; // no dimension
double vElu = 10e-2 / (1 * 60); // m/s
double tTotal = 15.0 * 60; // seconds
int divTime = 900000;
double dt = tTotal / divTime; // seconds
double injectedConc2 = 0.02; //M
Analyte analyte1, analyte2;
Column column1, column2;
analyte1 = new Analyte(/*rTransl*/ 0.1, /*k of decomp*/ 5.0e-4, /* D 4e-8 */ 4.0e-6);
analyte2 = new Analyte(0.15, 0, 4.0e-6);
column1 = new Column(analyte1, injectedConc1, lenColumn, divColumn, vElu, tTotal, dt);
column2 = new Column(analyte2, injectedConc2, lenColumn, divColumn, vElu, tTotal, dt);
for (clock = 0; clock <= divTime - 1; clock++)
{
column1.diffuse();
column2.diffuse();
column1.react(column2);
if (clock % column1.translCount == 0)
{
column1.translate();
}
if (clock % column2.translCount == 0)
{
column2.translate();
}
}
column1.output("outputtest1.csv");
column2.output("outputtest2.csv");
}
/*constructor*/
public Column(Analyte givenAnalyte,
double givenInjectedConc,
double givenLenColumn,
int givenDivColumn,
double givenVelElu,
double givenTTotal,
double givenDt)
{
/* primary parameters set */
analyte = givenAnalyte;
injectedConc = givenInjectedConc;
lenColumn = givenLenColumn;
divColumn = givenDivColumn;
velElu = givenVelElu;
tTotal = givenTTotal;
dt = givenDt;
/* secondary paramers calculated and set*/
dL = lenColumn / divColumn;
translCount = (int)(dL / (velElu * analyte.rTransl * dt));
// numTransl = (int)(tTotal * velElu * analyte.rTransl / dL);
numTransl = (int)(tTotal / (translCount * dt)) + 1;
/*
* Calculate numTransl by tTotal/(translCount*dt)+1.
* If this is calulated by using primary parameters (velElu, rTransl, dt) and dL,
* rounding error builds up, numTransl is evaluated small, and results in over-run of c[].
* the last "1" means translation at count = 0.
*/
numCells = numTransl + divColumn + 1;
/* cells allocated and initialized */
c = new double[numCells];
idxColumnHead = divColumn - 1;
idxColumnTail = 0;
c[idxColumnHead + 1] = injectedConc;
}
