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Fixing chem chenerator to actually take advantage of simplified flop …
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…optimizations.
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@kaschau
kaschau committed Jun 23, 2024
1 parent 74b8352 commit 95f443b
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Showing 4 changed files with 74 additions and 56 deletions.
40 changes: 20 additions & 20 deletions src/compute/chemistry/chem_C2H4_Air_Skeletal.cpp
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Original file line number Diff line number Diff line change
Expand Up @@ -201,7 +201,7 @@ void chem_C2H4_Air_Skeletal(block_ &b, const thtrdat_ &th,
q[3] = q_f + q_b;

// Reaction #4
k_f = exp(log(1000000000000.0002) - 1.0 * logT);
k_f = 1000000000000.0002 * Tinv;
dG = gbs[0] - 2.0 * gbs[1];
K_c = exp(-dG) / prefRuT;
// Three Body Reaction #4
Expand Down Expand Up @@ -238,7 +238,7 @@ void chem_C2H4_Air_Skeletal(block_ &b, const thtrdat_ &th,
q[6] = q_f + q_b;

// Reaction #7
k_f = exp(log(550000000000000.1) - 2.0 * logT);
k_f = 550000000000000.1 * Tinv * Tinv;
dG = gbs[0] - 2.0 * gbs[1];
K_c = exp(-dG) / prefRuT;
// Three Body Reaction #7
Expand All @@ -249,7 +249,7 @@ void chem_C2H4_Air_Skeletal(block_ &b, const thtrdat_ &th,
q[7] = q_f + q_b;

// Reaction #8
k_f = exp(log(2.2000000000000004e+16) - 2.0 * logT);
k_f = 2.2000000000000004e+16 * Tinv * Tinv;
dG = -gbs[1] - gbs[4] + gbs[5];
K_c = exp(-dG) / prefRuT;
// Three Body Reaction #8
Expand All @@ -265,7 +265,7 @@ void chem_C2H4_Air_Skeletal(block_ &b, const thtrdat_ &th,
q[8] = q_f + q_b;

// Reaction #9
k_f = exp(log(500000000000.0001) - 1.0 * logT);
k_f = 500000000000.0001 * Tinv;
dG = -gbs[1] - gbs[2] + gbs[4];
K_c = exp(-dG) / prefRuT;
// Three Body Reaction #9
Expand All @@ -281,7 +281,7 @@ void chem_C2H4_Air_Skeletal(block_ &b, const thtrdat_ &th,
q[9] = q_f + q_b;

// Reaction #10
k_f = exp(log(120000000000.00002) - 1.0 * logT);
k_f = 120000000000.00002 * Tinv;
dG = -2.0 * gbs[2] + gbs[3];
K_c = exp(-dG) / prefRuT;
// Three Body Reaction #10
Expand Down Expand Up @@ -429,7 +429,7 @@ void chem_C2H4_Air_Skeletal(block_ &b, const thtrdat_ &th,
q[22] = q_f + q_b;

// Reaction #23
k_f = exp(log(12100.000000000002) + 2.0 * logT -
k_f = exp(log(12100.000000000002) + 2 * logT -
(2616.741574193582 * Tinv));
dG = gbs[0] - gbs[1] + gbs[6] - gbs[7];
K_c = exp(-dG);
Expand All @@ -446,7 +446,7 @@ void chem_C2H4_Air_Skeletal(block_ &b, const thtrdat_ &th,
q[24] = q_f + q_b;

// Reaction #25
k_f = exp(log(9630.0) + 2.0 * logT - (2012.8781339950629 * Tinv));
k_f = exp(log(9630.0) + 2 * logT - (2012.8781339950629 * Tinv));
dG = -gbs[2] + gbs[4] + gbs[6] - gbs[7];
K_c = exp(-dG);
q_f = k_f * cs[2] * cs[7];
Expand Down Expand Up @@ -677,7 +677,7 @@ void chem_C2H4_Air_Skeletal(block_ &b, const thtrdat_ &th,
q[44] = q_f + q_b;

// Reaction #45
k_f = exp(log(187000000000000.03) - 1.0 * logT -
k_f = exp(log(187000000000000.03) - 1 * logT -
(8554.732069479018 * Tinv));
dG = gbs[1] + gbs[13] - gbs[15];
K_c = prefRuT * exp(-dG);
Expand Down Expand Up @@ -730,7 +730,7 @@ void chem_C2H4_Air_Skeletal(block_ &b, const thtrdat_ &th,
q[47] = q_f + q_b;

// Reaction #48
k_f = exp(log(500.0000000000001) + 2.0 * logT -
k_f = exp(log(500.0000000000001) + 2 * logT -
(3638.277227196076 * Tinv));
dG = -gbs[0] + gbs[1] - gbs[9] + gbs[11];
K_c = exp(-dG);
Expand Down Expand Up @@ -771,7 +771,7 @@ void chem_C2H4_Air_Skeletal(block_ &b, const thtrdat_ &th,
q[52] = q_f + q_b;

// Reaction #53
k_f = exp(log(11300.000000000002) + 2.0 * logT -
k_f = exp(log(11300.000000000002) + 2 * logT -
(1509.6586004962971 * Tinv));
dG = -gbs[4] + gbs[5] + gbs[8] - gbs[9];
K_c = exp(-dG);
Expand Down Expand Up @@ -1302,7 +1302,7 @@ void chem_C2H4_Air_Skeletal(block_ &b, const thtrdat_ &th,
q[104] = q_f + q_b;

// Reaction #105
k_f = exp(log(2460.0000000000005) + 2.0 * logT -
k_f = exp(log(2460.0000000000005) + 2 * logT -
(4161.6255420347925 * Tinv));
dG = -gbs[9] + 2.0 * gbs[11] - gbs[12];
K_c = exp(-dG);
Expand Down Expand Up @@ -1418,7 +1418,7 @@ void chem_C2H4_Air_Skeletal(block_ &b, const thtrdat_ &th,
q[114] = q_f + q_b;

// Reaction #115
k_f = exp(log(16320.000000000004) + 2.0 * logT -
k_f = exp(log(16320.000000000004) + 2 * logT -
(956.117113647655 * Tinv));
dG = gbs[1] - gbs[2] - gbs[18] + gbs[24];
K_c = exp(-dG);
Expand All @@ -1427,7 +1427,7 @@ void chem_C2H4_Air_Skeletal(block_ &b, const thtrdat_ &th,
q[115] = q_f + q_b;

// Reaction #116
k_f = exp(log(4080.000000000001) + 2.0 * logT -
k_f = exp(log(4080.000000000001) + 2 * logT -
(956.117113647655 * Tinv));
dG = -gbs[2] + gbs[9] + gbs[13] - gbs[18];
K_c = exp(-dG);
Expand All @@ -1445,7 +1445,7 @@ void chem_C2H4_Air_Skeletal(block_ &b, const thtrdat_ &th,
q[117] = q_f + q_b;

// Reaction #118
k_f = exp(log(4.830000000000001e-07) + 4.0 * logT -
k_f = exp(log(4.830000000000001e-07) + 4 * logT -
(-1006.4390669975314 * Tinv));
dG = -gbs[4] + gbs[11] + gbs[13] - gbs[18];
K_c = exp(-dG);
Expand All @@ -1454,7 +1454,7 @@ void chem_C2H4_Air_Skeletal(block_ &b, const thtrdat_ &th,
q[118] = q_f + q_b;

// Reaction #119
k_f = exp(log(10000.000000000002) + 2.0 * logT -
k_f = exp(log(10000.000000000002) + 2 * logT -
(3019.3172009925943 * Tinv));
dG = gbs[13] - gbs[15] - gbs[18] + gbs[20];
K_c = exp(-dG);
Expand Down Expand Up @@ -1926,7 +1926,7 @@ void chem_C2H4_Air_Skeletal(block_ &b, const thtrdat_ &th,
q[159] = q_f + q_b;

// Reaction #160
k_f = exp(log(3600.0000000000005) + 2.0 * logT -
k_f = exp(log(3600.0000000000005) + 2 * logT -
(1258.0488337469144 * Tinv));
dG = -gbs[4] + gbs[5] + gbs[20] - gbs[21];
K_c = exp(-dG);
Expand All @@ -1951,7 +1951,7 @@ void chem_C2H4_Air_Skeletal(block_ &b, const thtrdat_ &th,
q[162] = q_f + q_b;

// Reaction #163
k_f = exp(log(10000.000000000002) + 2.0 * logT -
k_f = exp(log(10000.000000000002) + 2 * logT -
(4025.7562679901257 * Tinv));
dG = gbs[13] - gbs[15] - gbs[21] + gbs[22];
K_c = exp(-dG);
Expand Down Expand Up @@ -1984,7 +1984,7 @@ void chem_C2H4_Air_Skeletal(block_ &b, const thtrdat_ &th,
q[166] = q_f + q_b;

// Reaction #167
k_f = exp(log(227.00000000000003) + 2.0 * logT -
k_f = exp(log(227.00000000000003) + 2 * logT -
(4629.619708188645 * Tinv));
dG = -gbs[11] + gbs[12] + gbs[20] - gbs[21];
K_c = exp(-dG);
Expand Down Expand Up @@ -2161,7 +2161,7 @@ void chem_C2H4_Air_Skeletal(block_ &b, const thtrdat_ &th,
(0.02) * exp(-T / (1096.6)) + exp(-(6859.5) * Tinv);
C = -0.4 - 0.67 * log10(Fcent);
N = 0.75 - 1.27 * log10(Fcent);
k0 = exp(log(1.3300000000000002e+54) - 12.0 * logT -
k0 = exp(log(1.3300000000000002e+54) - 12 * logT -
(3003.113532013934 * Tinv));
Pr = cTBC * k0 / k_f;
A = log10(Pr) + C;
Expand Down Expand Up @@ -2279,7 +2279,7 @@ void chem_C2H4_Air_Skeletal(block_ &b, const thtrdat_ &th,
q[194] = q_f + q_b;

// Reaction #195
k_f = exp(log(3100.0000000000005) + 2.0 * logT -
k_f = exp(log(3100.0000000000005) + 2 * logT -
(-149.9594209826322 * Tinv));
dG = -gbs[4] + gbs[5] + gbs[28] - gbs[29];
K_c = exp(-dG);
Expand Down
4 changes: 2 additions & 2 deletions src/compute/chemistry/chem_CH4_O2_FFCMY.cpp
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Original file line number Diff line number Diff line change
Expand Up @@ -203,7 +203,7 @@ void chem_CH4_O2_FFCMY(block_ &b, const thtrdat_ &th, const int &rface /*=0*/,
q[5] = q_f + q_b;

// Reaction #6
k_f = exp(log(4710000000000.001) - 1.0 * logT);
k_f = 4710000000000.001 * Tinv;
dG = -gbs[1] - gbs[3] + gbs[4];
K_c = exp(-dG) / prefRuT;
// Three Body Reaction #6
Expand Down Expand Up @@ -613,4 +613,4 @@ void chem_CH4_O2_FFCMY(block_ &b, const thtrdat_ &th, const int &rface /*=0*/,
}
b.omega(i, j, k, 0) = dTdt;
});
}
}
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