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[1D] Remove temperature state variable from Surf1D and ReactingSurf1D
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@speth
speth committed Oct 31, 2016
1 parent 0740131 commit b01f9cd
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Showing 2 changed files with 40 additions and 74 deletions.
11 changes: 2 additions & 9 deletions include/cantera/oneD/Inlet1D.h
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Original file line number Diff line number Diff line change
Expand Up @@ -254,8 +254,6 @@ class Surf1D : public Bdry1D
m_type = cSurfType;
}

virtual std::string componentName(size_t n) const;

virtual void init();

virtual void eval(size_t jg, doublereal* xg, doublereal* rg,
Expand All @@ -264,10 +262,6 @@ class Surf1D : public Bdry1D
virtual XML_Node& save(XML_Node& o, const doublereal* const soln);
virtual void restore(const XML_Node& dom, doublereal* soln, int loglevel);

virtual void _getInitialSoln(doublereal* x) {
x[0] = m_temp;
}

virtual void showSolution_s(std::ostream& s, const double* x);

virtual void showSolution(const doublereal* x) {
Expand Down Expand Up @@ -302,12 +296,11 @@ class ReactingSurf1D : public Bdry1D
virtual void restore(const XML_Node& dom, doublereal* soln, int loglevel);

virtual void _getInitialSoln(doublereal* x) {
x[0] = m_temp;
m_sphase->getCoverages(x+1);
m_sphase->getCoverages(x);
}

virtual void _finalize(const doublereal* x) {
std::copy(x+1,x+1+m_nsp,m_fixed_cov.begin());
std::copy(x, x+m_nsp, m_fixed_cov.begin());
}

virtual void showSolution(const doublereal* x);
Expand Down
103 changes: 38 additions & 65 deletions src/oneD/boundaries1D.cpp
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Original file line number Diff line number Diff line change
Expand Up @@ -523,22 +523,9 @@ void OutletRes1D::restore(const XML_Node& dom, doublereal* soln, int loglevel)

// -------- Surf1D --------

string Surf1D::componentName(size_t n) const
{
switch (n) {
case 0:
return "temperature";
default:
break;
}
return "<unknown>";
}

void Surf1D::init()
{
_init(1);
// set bounds (T)
setBounds(0, 200.0, 1e5);
_init(0);
}

void Surf1D::eval(size_t jg, doublereal* xg, doublereal* rg,
Expand All @@ -551,47 +538,40 @@ void Surf1D::eval(size_t jg, doublereal* xg, doublereal* rg,
// start of local part of global arrays
doublereal* x = xg + loc();
doublereal* r = rg + loc();
integer* diag = diagg + loc();

r[0] = x[0] - m_temp;
diag[0] = 0;

if (m_flow_right) {
double* rb = r + 1;
double* xb = x + 1;
rb[2] = xb[2] - x[0]; // specified T
double* rb = r;
double* xb = x;
rb[2] = xb[2] - m_temp; // specified T
}

if (m_flow_left) {
size_t nc = m_flow_left->nComponents();
double* rb = r - nc;
double* xb = x - nc;
rb[2] = xb[2] - x[0]; // specified T
rb[2] = xb[2] - m_temp; // specified T
}
}

XML_Node& Surf1D::save(XML_Node& o, const doublereal* const soln)
{
const doublereal* s = soln + loc();
XML_Node& inlt = Domain1D::save(o, soln);
inlt.addAttribute("type","surface");
for (size_t k = 0; k < nComponents(); k++) {
addFloat(inlt, componentName(k), s[k]);
}
addFloat(inlt, "temperature", m_temp);
return inlt;
}

void Surf1D::restore(const XML_Node& dom, doublereal* soln, int loglevel)
{
Domain1D::restore(dom, soln, loglevel);
soln[0] = m_temp = getFloat(dom, "temperature", "temperature");
resize(1,1);
m_temp = getFloat(dom, "temperature");
resize(0, 1);
}

void Surf1D::showSolution_s(std::ostream& s, const double* x)
{
s << "------------------- Surface " << domainIndex() << " ------------------- " << std::endl;
s << " temperature: " << m_temp << " K" << " " << x[0] << std::endl;
s << " temperature: " << m_temp << " K" << std::endl;
}

// -------- ReactingSurf1D --------
Expand All @@ -615,33 +595,30 @@ void ReactingSurf1D::setKineticsMgr(InterfaceKinetics* kin)

string ReactingSurf1D::componentName(size_t n) const
{
if (n == 0) {
return "temperature";
} else if (n < m_nsp + 1) {
return m_sphase->speciesName(n-1);
if (n < m_nsp) {
return m_sphase->speciesName(n);
} else {
return "<unknown>";
}
}

void ReactingSurf1D::init()
{
m_nv = m_nsp + 1;
_init(m_nsp+1);
m_nv = m_nsp;
_init(m_nsp);
m_fixed_cov.resize(m_nsp, 0.0);
m_fixed_cov[0] = 1.0;
m_work.resize(m_kin->nTotalSpecies(), 0.0);

setBounds(0, 200.0, 1e5);
for (size_t n = 0; n < m_nsp; n++) {
setBounds(n+1, -1.0e-5, 2.0);
setBounds(n, -1.0e-5, 2.0);
}
}

void ReactingSurf1D::resetBadValues(double* xg) {
double* x = xg + loc();
m_sphase->setCoverages(x+1);
m_sphase->getCoverages(x+1);
m_sphase->setCoverages(x);
m_sphase->getCoverages(x);
}

void ReactingSurf1D::eval(size_t jg, doublereal* xg, doublereal* rg,
Expand All @@ -656,16 +633,13 @@ void ReactingSurf1D::eval(size_t jg, doublereal* xg, doublereal* rg,
doublereal* r = rg + loc();
integer* diag = diagg + loc();

// specified surface temp
r[0] = x[0] - m_temp;

// set the coverages
doublereal sum = 0.0;
for (size_t k = 0; k < m_nsp; k++) {
m_work[k] = x[k+1];
sum += x[k+1];
m_work[k] = x[k];
sum += x[k];
}
m_sphase->setTemperature(x[0]);
m_sphase->setTemperature(m_temp);
m_sphase->setCoveragesNoNorm(m_work.data());

// set the left gas state to the adjacent point
Expand All @@ -691,31 +665,31 @@ void ReactingSurf1D::eval(size_t jg, doublereal* xg, doublereal* rg,
if (m_enabled) {
doublereal maxx = -1.0;
for (size_t k = 0; k < m_nsp; k++) {
r[k+1] = m_work[k + ioffset] * m_sphase->size(k) * rs0;
r[k+1] -= rdt*(x[k+1] - prevSoln(k+1,0));
diag[k+1] = 1;
maxx = std::max(x[k+1], maxx);
r[k] = m_work[k + ioffset] * m_sphase->size(k) * rs0;
r[k] -= rdt*(x[k] - prevSoln(k,0));
diag[k] = 1;
maxx = std::max(x[k], maxx);
}
r[1] = 1.0 - sum;
diag[1] = 0;
r[0] = 1.0 - sum;
diag[0] = 0;
} else {
for (size_t k = 0; k < m_nsp; k++) {
r[k+1] = x[k+1] - m_fixed_cov[k];
diag[k+1] = 0;
r[k] = x[k] - m_fixed_cov[k];
diag[k] = 0;
}
}

if (m_flow_right) {
double* rb = r + 1;
double* xb = x + 1;
rb[2] = xb[2] - x[0]; // specified T
double* rb = r + m_nsp;
double* xb = x + m_nsp;
rb[2] = xb[2] - m_temp; // specified T
}
if (m_flow_left) {
size_t nc = m_flow_left->nComponents();
const vector_fp& mwleft = m_phase_left->molecularWeights();
double* rb = r - nc;
double* xb = x - nc;
rb[2] = xb[2] - x[0]; // specified T
rb[2] = xb[2] - m_temp; // specified T
size_t nSkip = m_flow_left->rightExcessSpecies();
for (size_t nl = 0; nl < m_left_nsp; nl++) {
if (nl != nSkip) {
Expand All @@ -730,10 +704,9 @@ XML_Node& ReactingSurf1D::save(XML_Node& o, const doublereal* const soln)
const doublereal* s = soln + loc();
XML_Node& dom = Domain1D::save(o, soln);
dom.addAttribute("type","surface");
addFloat(dom, "temperature", s[0], "K");
addFloat(dom, "temperature", m_temp, "K");
for (size_t k=0; k < m_nsp; k++) {
addFloat(dom, "coverage", s[k+1], "",
m_sphase->speciesName(k));
addFloat(dom, "coverage", s[k], "", m_sphase->speciesName(k));
}
return dom;
}
Expand All @@ -742,29 +715,29 @@ void ReactingSurf1D::restore(const XML_Node& dom, doublereal* soln,
int loglevel)
{
Domain1D::restore(dom, soln, loglevel);
soln[0] = m_temp = getFloat(dom, "temperature");
m_temp = getFloat(dom, "temperature");

m_fixed_cov.assign(m_nsp, 0.0);
for (size_t i = 0; i < dom.nChildren(); i++) {
const XML_Node& node = dom.child(i);
if (node.name() == "coverage") {
size_t k = m_sphase->speciesIndex(node.attrib("type"));
if (k != npos) {
m_fixed_cov[k] = soln[k+1] = node.fp_value();
m_fixed_cov[k] = soln[k] = node.fp_value();
}
}
}
m_sphase->setCoverages(&m_fixed_cov[0]);

resize(m_nsp+1,1);
resize(m_nsp, 1);
}

void ReactingSurf1D::showSolution(const double* x)
{
writelog(" Temperature: {:10.4g} K \n", x[0]);
writelog(" Temperature: {:10.4g} K \n", m_temp);
writelog(" Coverages: \n");
for (size_t k = 0; k < m_nsp; k++) {
writelog(" {:>20s} {:10.4g} \n", m_sphase->speciesName(k), x[k+1]);
writelog(" {:>20s} {:10.4g} \n", m_sphase->speciesName(k), x[k]);
}
writelog("\n");
}
Expand Down

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