Run rTx10^10 PT PH2 PM PB Y

1 71 1 1 1 0 0.014085
2 71.3 1 1 4 0 0.014025
3 41.6 1 1 0 1 0.024038
4 19.7 1 1 0 4 0.050761
5 42 1 1 1 1 0.02381
6 17.1 1 1 0 5 0.05848
7 71.8 1 1 0 0 0.013928
8 142 1 2 0 0 0.014085
9 284 1 4 0 0 0.014085
10 47 0.5 1 0 0 0.010638
11 71.3 1 1 0 0 0.014025
12 117 5 1 0 0 0.042735
13 127 10 1 0 0 0.07874
14 131 15 1 0 0 0.114504
15 133 20 1 0 0 0.150376
16 41.8 1 1 1 1 0.023923
POLYMA
TH No Title
Report
Multiple
linear 26-Nov-18
regression

Model: Y = a0 + a1*PB + a2*PT

95%
Variable Value confiden
ce
a0 0.007119 0.000333
a1 0.008997 0.000167
a2 0.007161 4.32E-05

General
Number of independent variables = 2
Regression including a free parameter
Number of observations = 16

Statistics
R^2 0.999899
R^2adj 0.999884
Rmsd 9.98E-05
Variance 1.96E-07

Source data points and calculated data points

PB PT Y Y calc Delta Y
1 0 1 0.014085 0.01428 -0.000195
2 0 1 0.014025 0.01428 -0.000254
3 1 1 0.024038 0.023276 0.000762
4 4 1 0.050761 0.050267 0.000495
5 1 1 0.02381 0.023276 0.000533
6 5 1 0.05848 0.059264 -0.000784
7 0 1 0.013928 0.01428 -0.000352
8 0 1 0.014085 0.01428 -0.000195
9 0 1 0.014085 0.01428 -0.000195
10 0 0.5 0.010638 0.010699 -6.10E-05
11 0 1 0.014025 0.01428 -0.000254
12 0 5 0.042735 0.042922 -0.000187
13 0 10 0.07874 0.078724 1.61E-05
14 0 15 0.114504 0.114527 -2.28E-05
15 0 20 0.150376 0.150329 4.68E-05
16 1 1 0.023923 0.023276 0.000647
Point rA0 PA0 (PA0/-rA0)^1/2
1 0 0 #DIV/0!
PA0 vs (PA0/-rA0)^1/2
2 0.275 4.5 4.045199
3 0.5 27 7.348469 25.000000

4 0.77 54 8.374358
20.000000 f(x) = 0.0737514072x + 4.3548878918
5 0.77 112 12.060454 R² = 0.9901295237

(PA0/-rA0)^1/2
6 0.5 229 21.400935 15.000000

10.000000

5.000000

0.000000
0 50 100 150
PA0
vs (PA0/-rA0)^1/2

514072x + 4.3548878918
95237

100 150 200 250

PA0
Run PA PB PC rate y
1 2 5 0 0.044 6.7420
2 0.1 0 0 0.04 1.5811 PA vs (PA/R)^0.
3 0.5 2 1 0.069 2.6919 8.0000
4 1 1 1 0.06 4.0825
7.0000
5 2 0 0 0.043 6.8199 f(x) = 2.729840502x + 1.3362434666
6 1 0 0 0.059 4.1169 6.0000 R² = 0.9996774064
5.0000
4.0000
3.0000
2.0000
1.0000
0.0000
0 0.5 1 1.5
 PA vs (PA/R)^0.5

2.729840502x + 1.3362434666
.9996774064

0.5 1 1.5 2 2.5

PH2 PNO rate rate'
0.00922 0.05 1.6 0.026667
0.0136 0.05 2.56 0.042667
0.0197 0.05 3.27 0.0545
0.028 0.05 3.64 0.060667
0.0291 0.05 3.48 0.058
0.0389 0.05 4.46 0.074333
0.0485 0.05 4.75 0.079167
0.05 0.00918 1.47 0.0245
0.05 0.0184 2.48 0.041333
0.05 0.0298 3.45 0.0575
0.05 0.0378 4.06 0.067667
0.05 0.0491 4.73 0.078833
Run r'A PA PB PC PA*PB/-r'A (PA*PB/-r'A)^1/2
1 0.0362 1 1 0 27.6243 5.2559
2 0.0239 1 1 1 41.8410 6.4685
500.0000
3 0.0390 1 3 1 76.9231 8.7706
450.0000
4 0.0351 3 1 1 85.4701 9.2450 400.0000
5 0.0114 1 1 3 87.7193 9.3659 350.0000
6 0.0534 1 10 0 187.2659 13.6845 300.0000 f(x) = 23

PA*PB/-rA
R² = 0.25
7 0.0310 10 1 0 322.5806 17.9605 250.0000
8 0.0033 1 1 10 303.0303 17.4078 200.0000
9 0.0380 2 2 2 105.2632 10.2598 150.0000
100.0000
10 0.0090 1 1 4 111.1111 10.5409
50.0000
11 0.0127 0.6 0.6 0.6 28.3465 5.3241 0.0000
12 0.0566 5 5 5 441.6961 21.0166 0

Run r'A P 0.0600

f(x) = 0.0035605719 exp( 0.6447261972 x )
2 0.0239 1 R² = 0.4318394037
0.0500
9 0.0380 2
11 0.0008 0.6
0.0400
12 0.0566 5
0.0300
-r'A

0.0200

0.0100

0.0000
0 1 2 3 4 5 6
P
 0.0362
Single site
0.0239
500.0000
0.039
450.0000
0.0351
400.0000
350.0000 0.0114
300.0000 f(x) = 23.378247657x + 97.8026536208 0.0534
PA*PB/-rA

R² = 0.2591138508
250.0000 0.031
200.0000 0.0033
150.0000 0.038
100.0000
0.0032
50.0000
0.0000
0.0008
0 2 4 6 8 10 12 0.0566
PC

Dual site
25.0000

20.0000
(PA*PB/-r'A)^0,5

f(x) = 0.9206416484x + 9.1575252461

15.0000 R² = 0.2712363834

10.0000

5.0000
5 6

0.0000
0 2 4 6 8 10 12
PC
POLYMATH Results
No Title |POLVER05_ |4 11-20-2018

Multiple linear regression

Model: Y = a0 + a1*PA + a2*PB + a3*PC

Variable Value 95% confidence

a0 3.1222517 0.292967
a1 1.3939578 0.058067
a2 0.9300425 0.058067
a3 1.2206765 0.054715

Number of independent variables = 3

Regression including free parameter
Number of observations = 12

R^2 = 0.998616
R^2adj = 9.98E-01
Rmsd = 0.0530998
Variance = 0.0507527
Temperatur (K) rate PH20 PM PH2 Y X PH20/PH2PCH4/PH2
3 88 16 16 0.6770 1.3750 5.5 1
748 4 220 40 40 0.4663 0.8696 5.5 1
7 440 80 80 0.2964 0.6149 5.5 1

5.5 88 16 16 0.5000 1.3750 5.5 1

773 7.5 220 40 40 0.3405 0.8696 5.5 1
12 440 80 80 0.2264 0.6149 5.5 1

7.5 88 16 16 0.4282 1.3750 5.5 1

12.5 220 40 40 0.2638 0.8696 5.5 1
796
16 330 60 60 0.2107 0.7100 5.5 1
17.5 440 80 80 0.1875 0.6149 5.5 1

12.5 88 16 16 0.3317 1.3750 5.5 1

15 220 40 40 0.2408 0.8696 5.5 1
823
24 330 60 60 0.1720 0.7100 5.5 1
27 440 80 80 0.1509 0.6149 5.5 1

773 K
1.6000
1.4000
1.2000 f(x) = 2.8027139468x - 0.0435421017
1.0000 R² = 0.9914175223
((���4 ��2�)/ 0.8000
(��2^2.5 �4 ))^0.5
0.6000
0.4000
0.2000
0.0000
0.20000.25000.30000.35000.40000.45000.50000.5500

((���4 ��2�)/(��2)^2.5 )

896 K
1.6000
1.4000
1.2000 f(x) = 4.0836303273x - 0.0216813095
1.0000 R² = 0.9664885826
((���4 ��2�)/ 0.8000
(��2^2.5 �4 ))^0.5
0.6000
0.4000
0.2000
0.0000
0.1000 0.1500 0.2000 0.2500 0.3000 0.3500
((���4 ��2�)/(��2)^2.5 )
0.6000
0.4000
0.2000
0.0000
0.1000 0.1500 0.2000 0.2500 0.3000 0.3500
((���4 ��2�)/(��2)^2.5 )
PCH4/PH2

748 K
1.6000
1.4000
1.2000 f(x) = 2.0128112371x - 0.0127392277
1.0000 R² = 0.9841426931
((���4 ��2�)/ 0.8000
(��2^2.5 �4 ))^0.5
0.6000
0.4000
0.2000
0.0000
0.2000 0.3000 0.4000 0.5000 0.6000 0.7000 0.8000

((���4 ��2�)/(��2)^2.5 )

796 K
7 1.6000
1.4000
1.2000 f(x) = 3.1158904242x + 0.0432800946
R² = 0.9991607719
1.0000
((���4 ��2�)/ 0.8000
(��2^2.5 �4 ))^0.5 0.6000
0.4000
0000.5500 0.2000
0.0000
0.1500 0.2000 0.2500 0.3000 0.3500 0.4000 0.4500
((���4 ��2�)/(��2)^2.5 )
Model: Y = a0 + a1*x3

95%
Variable Value confiden
ce
a0 -0.01795 0.181505
a1 0.368914 0.18758

General
Regression including a free parameter
Number of observations = 14

Statistics
R^2 0.60481
R^2adj 0.571877
Rmsd 0.024275
Variance 0.009625

Source data points and calculated data points

x3 Y Y calc Delta Y
1 1.375 0.677 0.489307 0.187693
2 0.8696 0.4663 0.302858 0.163442
3 0.6149 0.2964 0.208895 0.087505
4 1.375 0.5 0.489307 0.010693
5 0.8696 0.3405 0.302858 0.037642
6 0.6149 0.2264 0.208895 0.017505
7 1.375 0.4282 0.489307 -0.061107
8 0.8696 0.2638 0.302858 -0.039058
9 0.71 0.2107 0.243979 -0.033279
10 0.6149 0.1875 0.208895 -0.021395
11 1.375 0.3317 0.489307 -0.157607
12 0.8696 0.2408 0.302858 -0.062058
13 0.71 0.172 0.243979 -0.071979
14 0.6149 0.1509 0.208895 -0.057995
Temperatur (K) rate PH20 PM PH2 Y X
3 88 16 16 0.1693 1.3750
748 4 220 40 40 0.0737 0.8696
7 440 80 80 0.0331 0.6149
5.5 88 16 16 0.1250 1.3750
773 7.5 220 40 40 0.0538 0.8696
12 440 80 80 0.0253 0.6149
7.5 88 16 16 0.1070 1.3750
12.5 220 40 40 0.0417 0.8696
796
16 330 60 60 0.0272 0.7100
17.5 440 80 80 0.0210 0.6149
12.5 88 16 16 0.0829 1.3750
15 220 40 40 0.0381 0.8696
823
24 330 60 60 0.0222 0.7100
27 440 80 80 0.0169 0.6149

773 K
0.1400
0.1200
f(x) = 0.1325195126x - 0.0582655119
0.1000 R² = 0.99709884
((���4 ��2�) 0.0800
(��2)^2.5 ))^0.5 0.0600
0.0400
0.0200
0.0000
0.50000.60000.70000.80000.90001.00001.10001.20001.30001.40001.5000

(���4 ��2�^3)/(��2^3.5 �6 )

823 K
0.0900
0.0800
f(x) = 0.0885073195x - 0.0389676313
0.0700 R² = 0.9982070778
0.0600
0.0500
((���4 ��2�)
0.0400
(��2)^2.5 ))^0.5
0.0300
0.0200
0.0100
0.0000
0.4000 0.6000 0.8000 1.0000 1.2000 1.4000 1.6000
(���4 ��2�^3)/(��2^3.5 �6 )
0.0000
0.4000 0.6000 0.8000 1.0000 1.2000 1.4000 1.6000
(���4 ��2�^3)/(��2^3.5 �6 )
 748 K
0.2000
0.1500 f(x) = 0.1804807376x - 0.0799937681
R² = 0.9983359996
((���4 ��2�)(��2)^2.5 ))^0.5 0.1000
0.0500
0.0000
0.5000 1.0000 1.5000
(���4 ��2�^3)/(��2^3.5 �6 )

796 K
0.1200
0.1000 f(x) = 0.1162021572x - 0.0544730994
0.0800 R² = 0.9907549584
((���4 ��2�) 0.0600
(��2)^2.5 ))^0.5
0.0400
0.0200
0.0000
0.4000 0.6000 0.8000 1.0000 1.2000 1.4000 1.6000
(���4 ��2�^3)/(��2^3.5 �6 )
 X CH4
Run Temperatur (K) F0 CH4
1 2 3
1 748 0.00231 2.18 3.46 5.43
2 773 0.00231 3.86 6.13 9.92
3 798 0.00231 6.24 9.24 14.67
4 823 0.00231 10.59 15.37 22.09

Temperatur (K) Rm PH20 PM PH2 Y X

0.005036 88 16 16 16.5237 1.3750
0.004621 220 40 40 13.7181 0.8696
0.012545 330 60 60 7.5233 0.7100
748
0.017004 440 80 80 6.0136 0.6149
0.021624 550 100 100 5.0433 0.5500
0.026961 660 120 120 4.3154 0.5021

0.008918 88 16 16 12.4170 1.3750

0.007994 220 40 40 10.4300 0.8696
0.022918 330 60 60 5.5662 0.7100
773
0.03004 440 80 80 4.5244 0.6149
0.037981 550 100 100 3.8054 0.5500
0.045559 660 120 120 3.3197 0.5021

0.014416 88 16 16 9.7663 1.3750

0.014162 220 40 40 7.8362 0.8696
0.033892 330 60 60 4.5771 0.7100
798
0.045005 440 80 80 3.6964 0.6149
0.059909 550 100 100 3.0299 0.5500
0.065936 660 120 120 2.7595 0.5021

0.024466 88 16 16 7.4967 1.3750

0.021347 220 40 40 6.3826 0.8696
0.051035 330 60 60 3.7300 0.7100
823
0.067461 440 80 80 3.0191 0.6149
0.081507 550 100 100 2.5977 0.5500
0.093752 660 120 120 2.3142 0.5021

TPL 1 773K T
14.0000 12.0000
f(x) = 11.0319846231x - 1.8205940544
12.0000 10.0000
R² = 0.8802470307 f(x) = 8.4519004
10.0000 R² = 0.91084010
8.0000
8.0000
6.0000
6.0000
4.0000
4.0000

2.0000 2.0000

0.0000 0.0000
10.0000 R² = 0.91084010
8.0000
8.0000
6.0000
6.0000
4.0000
4.0000

2.0000 2.0000

0.0000 0.0000
0.4000 0.6000 0.8000 1.0000 1.2000 1.4000 1.6000 0.4000 0.6000 0.80

TPL 1 823K
8.0000
f(x) = 6.0708265741x - 0.3566438819
7.0000 R² = 0.8565035594
6.0000
5.0000
4.0000
3.0000
2.0000
1.0000
0.0000
0.5000 0.6000 0.7000 0.8000 0.9000 1.0000 1.1000 1.2000 1.3000 1.4000 1.5000
 X CH4 r CH4
4 5 6 1 2 3 4 5 6
7.36 9.36 11.67 0.005036 0.004621 0.012545 0.017004 0.021624 0.026961
13 16.44 19.72 0.008918 0.007994 0.022918 0.030034 0.037981 0.045559
19.48 24.2 28.54 0.014416 0.014162 0.033892 0.045005 0.055909 0.065936
29.2 35.28 40.58 0.024466 0.021347 0.051035 0.067461 0.081507 0.093752

TPL 1 748K
18.0000
f(x) = 14.699811304x - 2.4667205819
16.0000 R² = 0.8880768212

14.0000

12.0000

10.0000

8.0000

6.0000

4.0000

2.0000

0.0000
0.4000 0.6000 0.8000 1.0000 1.2000 1.4000 1.6000

TPL 1 798K
2.0000

0.0000 f(x) = 8.4519004827x - 1.2327496631

R² = 0.9108401061
8.0000

6.0000

4.0000

2.0000

0.0000
 R² = 0.9108401061
8.0000

6.0000

4.0000

2.0000

0.0000
0.4000 0.6000 0.8000 1.0000 1.2000 1.4000 1.6000
PCH4 PH2O (PH2O)^3 PH2 (PH2)^2.5 (PH2)^3.5 r Y X
10 28.6 23393.66 8.16 190.2065 1552.085 0.000008 4340.565 1.503629 10000
15 28.6 23393.66 8.16 190.2065 1552.085 0.000011 4533.572 2.255443 9000 f(x) = 1084.573
R² = 0.7936577
20 28.6 23393.66 8.16 190.2065 1552.085 0.0000135 4725.409 3.007258 8000
13.4 25 15625 8.42 205.7218 1732.177 0.0000116 3228.028 1.628413
7000
13.4 30 27000 8.42 205.7218 1732.177 0.0000115 4261.762 1.954096
6000
13.4 35 42875 8.42 205.7218 1732.177 0.0000114 5393.937 2.279778
13.5 28.5 23149.13 5 55.9017 279.5085 0.000015 8633.582 6.882617 5000
13.5 28.5 23149.13 10 316.2278 3162.278 0.000012 2869.747 1.216686 4000
13.5 28.5 23149.13 15 871.4213 13071.32 0.00001 1546.231 0.44152 3000
13.5 28.5 23149.13 20 1788.854 35777.09 0.0000085 1013.73 0.215082
2000
13.3 27.4 20570.82 7.82 171.0082 1337.284 0.0000075 5222.87 2.131009
13.3 27.4 20570.82 7.82 171.0082 1337.284 0.000007 5406.184 2.131009 1000
13.3 27.4 20570.82 7.82 171.0082 1337.284 0.0000065 5610.262 2.131009 0
13.2 27.7 21253.93 7.54 156.1092 1177.063 0.000008 5458.355 2.342207 0 1
13.2 27.7 21253.93 7.54 156.1092 1177.063 0.0000105 4764.443 2.342207
13.2 27.7 21253.93 7.54 156.1092 1177.063 0.000012 4456.728 2.342207

PCH4 PH2O (PH2O)^3 PH2 (PH2)^2.5 (PH2)^3.5 r Y X

10 28.6 23393.66 8.16 190.2065 1552.085 0.000008 4340.565 1.503629

15 28.6 23393.66 8.16 190.2065 1552.085 0.000011 4533.572 2.255443

20 28.6 23393.66 8.16 190.2065 1552.085 0.0000135 4725.409 3.007258

4800

4700 f(x) = 255.9432582571x + 3955.9166414139

R² = 0.9999969142
4600

4500

4400

4300

4200

4100
1.4 1.6 1.8 2 2.2 2.4 2.6 2.8 3 3.2
10000
9000 f(x) = 1084.5734586411x + 2107.3577998318
R² = 0.7936577725
8000
7000
6000
5000
4000
3000
2000
1000
0
0 1 2 3 4 5 6 7 8