import math
def get_r(x, t, xso2):
R = 1.987
Keff = 0
if 693.15 <= t < 748.15:
Keff = 7.6915 * (10 ** 18) * math.exp(-76062 / (R * t))
if 748.15 <= t <= 873.15:
Keff = 1.5128 * (10 ** 7) * math.exp(-35992 / (R * t))
K = 2.3 * (10 ** (-8)) * math.exp(27200 / (R * t))
Kp = 2.26203 * (10 ** (-5)) * math.exp(11295.3 / t)
Pso2 = (xso2 - xso2 * x) / (1 - xso2 * x / 2)
Pso3 = (xso2 * x) / (1 - xso2 * x / 2)
Po2 = (0.17 - xso2 - xso2 * x / 2) / (1 - xso2 * x / 2)
r1 = Po2 * Pso2 / Pso3
r2 = Pso3 / (Pso2 * math.sqrt(Po2) * Kp)
B = 48148 * math.exp(-7355.5 / t)
r3 = math.sqrt(B + (B - 1) * (1 - x) / x) + math.sqrt(K * (1 - x) / x)
r = Keff * K * r1 * (1 - r2 * r2) / (r3 * r3)
return r
def calc_x(t, r0):
xso2 = 0.08
h = 0.00001
x = 0.01
x = x + h
y = math.fabs((10 ** 5) * get_r(x, t, xso2) - (10 ** 5) * r0)
while y > 0.0001:
x = x + h
if x >= 1:
break
y = math.fabs((10 ** 5) * get_r(x, t, xso2) - (10 ** 5) * r0)
return x
def write_2_file():
r0 = 0
for i in range(5):
with open('data1-%s.csv' % (i + 1), 'w') as f:
f.write('R = %.2e\n' % r0)
for t in range(693, 874, 5):
t2 = t + 0.15
if calc_x(t2, r0) < 1:
f.write('%5.2f\t%5.4f\n' % (t2, calc_x(t2, r0)))
r0 = r0 + (10 ** (-6))
def main():
write_2_file()
if __name__ == '__main__':
main()
=============================
运行结果：
=============================
R = 0.00e+00
693.15 0.9838
698.15 0.9820
703.15 0.9799
708.15 0.9776
713.15 0.9751
718.15 0.9724
723.15 0.9694
728.15 0.9661
733.15 0.9625
738.15 0.9586
743.15 0.9544
748.15 0.9499
753.15 0.9450
758.15 0.9397
763.15 0.9340
768.15 0.9280
773.15 0.9216
778.15 0.9147
783.15 0.9074
788.15 0.8997
793.15 0.8915
798.15 0.8829
803.15 0.8738
808.15 0.8643
813.15 0.8543
818.15 0.8438
823.15 0.8330
828.15 0.8217
833.15 0.8100
838.15 0.7978
843.15 0.7853
848.15 0.7724
853.15 0.7592
858.15 0.7456
863.15 0.7317
868.15 0.7176
873.15 0.7032
R = 1.00e-06
703.15 0.0197
708.15 0.2789
713.15 0.4804
718.15 0.6246
723.15 0.7243
728.15 0.7922
733.15 0.8380
738.15 0.8684
743.15 0.8880
748.15 0.9000
753.15 0.8969
758.15 0.8932
763.15 0.8890
768.15 0.8841
773.15 0.8788
778.15 0.8729
783.15 0.8665
788.15 0.8597
793.15 0.8523
798.15 0.8444
803.15 0.8360
808.15 0.8272
813.15 0.8178
818.15 0.8080
823.15 0.7978
828.15 0.7871
833.15 0.7760
838.15 0.7644
843.15 0.7525
848.15 0.7402
853.15 0.7276
858.15 0.7146
863.15 0.7013
868.15 0.6877
873.15 0.6738
R = 2.00e-06
718.15 0.1880
723.15 0.3892
728.15 0.5395
733.15 0.6490
738.15 0.7278
743.15 0.7838
748.15 0.8231
753.15 0.8244
758.15 0.8245
763.15 0.8237
768.15 0.8219
773.15 0.8193
778.15 0.8159
783.15 0.8118
788.15 0.8070
793.15 0.8014
798.15 0.7953
803.15 0.7885
808.15 0.7811
813.15 0.7731
818.15 0.7646
823.15 0.7556
828.15 0.7460
833.15 0.7360
838.15 0.7255
843.15 0.7146
848.15 0.7032
853.15 0.6914
858.15 0.6793
863.15 0.6669
868.15 0.6541
873.15 0.6411
R = 3.00e-06
723.15 0.0809
728.15 0.2924
733.15 0.4553
738.15 0.5774
743.15 0.6679
748.15 0.7343
753.15 0.7405
758.15 0.7450
763.15 0.7481
768.15 0.7498
773.15 0.7503
778.15 0.7498
783.15 0.7482
788.15 0.7458
793.15 0.7426
798.15 0.7385
803.15 0.7337
808.15 0.7281
813.15 0.7219
818.15 0.7150
823.15 0.7075
828.15 0.6994
833.15 0.6908
838.15 0.6816
843.15 0.6719
848.15 0.6618
853.15 0.6512
858.15 0.6402
863.15 0.6288
868.15 0.6170
873.15 0.6050
R = 4.00e-06
728.15 0.0656
733.15 0.2705
738.15 0.4298
743.15 0.5510
748.15 0.6424
753.15 0.6536
758.15 0.6624
763.15 0.6692
768.15 0.6743
773.15 0.6778
778.15 0.6800
783.15 0.6810
788.15 0.6809
793.15 0.6798
798.15 0.6777
803.15 0.6748
808.15 0.6711
813.15 0.6666
818.15 0.6613
823.15 0.6554
828.15 0.6488
833.15 0.6416
838.15 0.6339
843.15 0.6255
848.15 0.6167
853.15 0.6073
858.15 0.5975
863.15 0.5873
868.15 0.5767
873.15 0.5658
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