4 5 decimal

&[DATE] &[TIME] - &[FILENAME]

Primer63

S 1 - 0001 - 0001 - 2 - 3.5 - 5 - 00012323473 mat :

x1 0.875 0.07 0.02 0 00.035 0071 mat :

To 298 K * :

T.1 To :

T.2 To :

R J mol K * / 16628944320000000 /

α 1.2 :

a 1.702 1.131 1.213 3.639 3.280 5.457 3.470 71 mat :

b 9.081 19.225 28.785 0.506 0.593 1.045 1.450 71 mat 103 -^* K 1 -^* :

c 2.164 - 5.561 - 8.824 - 000071 mat 106 -^* K 2 -^* :

d 000 0.227 - 0.040 1.157 - 0.121 71 mat 105^* K 2^* :

h.f 74520 - 83820 - 104680 - 00393509 - 241818 - 71 mat J mol / * :

F1 100 mol s / * :

n2 7 el 0 mol s / * :

n1 F1 x1 * :

n1 87.5 mol s / * 7 mol s / * 2 mol s / * 0 3.5 mol s / * 0071 mat

O2.min S transpose 4 col n.uglj * (- :

n.uglj n1 1311 submatrix :

n.uglj 87.5 mol s / * 7 mol s / * 2 mol s / * 31 mat :

O2.min 2 - 3.5 - 5 - 31 mat n.uglj * (- :

O2.min 419 mol * 2 s * /

F2 α O2.min * 0.21 / :

x2 000 0.21 0.79 0071 mat :

n2 F2 x2 * :

n2 mol s / 00012575 / 3310135 / 0071 mat

ε n.uglj :

ε mol s / 1752 / 7231 mat

n3 n1 n2 + S ε * + :

n3 mol s / 00041910 / 6644770 / 2152 / 20471 mat

T funh R a T To - (* b 2 / T 2^To 2^- (* + c 3 / T 3^To 3^- (* + d 1 T / 1 To / - (* - (* :

ΔH.R S transpose h.f * :

ΔH.R J mol / 802625 - 1428652 - 2043119 - 31 mat

Q.R ε ΔH.R * - :

Q.R 168632979 kg * m 2^* 2 s 3^* /

T.1 298 K *

NUMERIC

h1 T.1 funh :

h2 T.2 funh :

n1 87.5 mol s / * 7 mol s / * 2 mol s / * 0 3.5 mol s / * 0071 mat

h1 000000071 mat

h2 000000071 mat

n1 h1 * 0

n2 h2 * 0

product optimization (f() optimization) numeric or symbolic, nothing change

----)> f(T)=number

SYMBOLIC

h1 T.1 funh :

h2 T.2 funh :

h1 0

h2 0

n1 h1 * 000000071 mat

n2 h2 * 000000071 mat

product optimization (f() optimization) numeric

----)> f(T)=vector

n1 h1 * 0

n2 h2 * 0

product optimization (f() optimization) symbolic

----)> f(T)=number

---)> CHANGING THESE SIMPLICATIONS CHANGE THE f(T) OUTPUT

h1 T.1 funh :

h2 T.2 funh :

n3 1000 K * funh * 3.0238 107^* W *

Optimization symbolic T.3 f n1 h1 * n2 h2 * + n3 T.3 K * funh * - Q.R + W / :

n3 000 41.9 mol s / * 949.2429 mol s / * 107.5 mol s / * 204 mol s / * 71 mat

n2 000 251.4 mol s / * 945.7429 mol s / * 0071 mat

1000 f 5.4079 107^*

T.3 T# f 0 ≡ T# 10002500 solve :

T.3 2069.7617

T.3 f 2.21123116895187 106 -^*

possible cause

x f' x f x diff :

<-diff(#,#)- function is not defined T.3 T# f T# 2000 roots :

1000 f' #

eps 105 -^:

maxiter 100 :

f,h1,h2 numeric: wrong solution - don't know why T# f 1000 eps maxiter 1 Broyden 2069.7617 1011 mat 21 mat

T# not defined
(updated plugin) T# f 1000 eps maxiter 1 NewtonRaphson #

previous error (wrong evalutation order+wrong size identification) - fixed

1000 f x diff 0

1000 f x diff (1 -^#

this error (numeric differentition of vectors) - SMath feature or issue

541 K 2^* 750000000 / - 5561 K 2^* 3000000000 / - 1103 K 2^* 375000000 / - 000071 mat T# diff #

T# f T# diff 00069675276617 kg * m 2^* 100000000 K 2^* / 11049434619021 kg * m 2^* 700000000 K 2^* / 7150446049 kg * m 2^* 4000000 K 2^* / 8480761593 kg * m 2^* 2500000 K 2^* / 71 mat T# 851 K 2^* 500 / 1131 K 2^* 1000 / 1213 K 2^* 1000 / 3639 K 2^* 1000 / 82 K 2^* 25 / 5457 K 2^* 1000 / 347 K 2^* 100 / 71 mat 298 - T# + (* 9081 K 2^* 2000000 / 769 K 2^* 80000 / 5757 K 2^* 400000 / 253 K 2^* 1000000 / 593 K 2^* 2000000 / 209 K 2^* 400000 / 29 K 2^* 40000 / 71 mat 88804 - T# 2^+ (* + 541 K 2^* 750000000 / - 5561 K 2^* 3000000000 / - 1103 K 2^* 375000000 / - 000071 mat 26463592 - T# 3^+ (* + (* 00011350 K 2^* 149 / - 2000 K 2^* 149 / 57850 K 2^* 149 / - 6050 K 2^* 149 / 71 mat 298 T# - (* - (* - T# 00069675276617 kg * m 2^* 100000000 K 2^* / 11049434619021 kg * m 2^* 700000000 K 2^* / 7150446049 kg * m 2^* 4000000 K 2^* / 8480761593 kg * m 2^* 2500000 K 2^* / 71 mat T# diff T# 851 K 2^* 500 / 1131 K 2^* 1000 / 1213 K 2^* 1000 / 3639 K 2^* 1000 / 82 K 2^* 25 / 5457 K 2^* 1000 / 347 K 2^* 100 / 71 mat 298 - T# + (* 9081 K 2^* 2000000 / 769 K 2^* 80000 / 5757 K 2^* 400000 / 253 K 2^* 1000000 / 593 K 2^* 2000000 / 209 K 2^* 400000 / 29 K 2^* 40000 / 71 mat 88804 - T# 2^+ (* + 541 K 2^* 750000000 / - 5561 K 2^* 3000000000 / - 1103 K 2^* 375000000 / - 000071 mat 26463592 - T# 3^+ (* + (* 00011350 K 2^* 149 / - 2000 K 2^* 149 / 57850 K 2^* 149 / - 6050 K 2^* 149 / 71 mat 298 T# - (* - (* 00069675276617 kg * m 2^* 100000000 K 2^* / 11049434619021 kg * m 2^* 700000000 K 2^* / 7150446049 kg * m 2^* 4000000 K 2^* / 8480761593 kg * m 2^* 2500000 K 2^* / 71 mat 851 K 2^* 500 / 1131 K 2^* 1000 / 1213 K 2^* 1000 / 3639 K 2^* 1000 / 82 K 2^* 25 / 5457 K 2^* 1000 / 347 K 2^* 100 / 71 mat 298 - T# + (* 9081 K 2^* 2000000 / 769 K 2^* 80000 / 5757 K 2^* 400000 / 253 K 2^* 1000000 / 593 K 2^* 2000000 / 209 K 2^* 400000 / 29 K 2^* 40000 / 71 mat 88804 - T# 2^+ (* + 541 K 2^* 750000000 / - 5561 K 2^* 3000000000 / - 1103 K 2^* 375000000 / - 000071 mat 26463592 - T# 3^+ (* + T# 851 K 2^* 500 / 1131 K 2^* 1000 / 1213 K 2^* 1000 / 3639 K 2^* 1000 / 82 K 2^* 25 / 5457 K 2^* 1000 / 347 K 2^* 100 / 71 mat T# diff 298 - T# + (* 9081 K 2^* 2000000 / 769 K 2^* 80000 / 5757 K 2^* 400000 / 253 K 2^* 1000000 / 593 K 2^* 2000000 / 209 K 2^* 400000 / 29 K 2^* 40000 / 71 mat T# diff 88804 - T# 2^+ (* + T# 541 K 2^* 250000000 / - 5561 K 2^* 1000000000 / - 1103 K 2^* 125000000 / - 000071 mat T# * 9081 K 2^* 1000000 / 769 K 2^* 40000 / 5757 K 2^* 200000 / 253 K 2^* 500000 / 593 K 2^* 1000000 / 209 K 2^* 200000 / 29 K 2^* 20000 / 71 mat + (* + 541 K 2^* 750000000 / - 5561 K 2^* 3000000000 / - 1103 K 2^* 375000000 / - 000071 mat T# diff 26463592 - T# 3^+ (* + 851 K 2^* 500 / 1131 K 2^* 1000 / 1213 K 2^* 1000 / 3639 K 2^* 1000 / 82 K 2^* 25 / 5457 K 2^* 1000 / 347 K 2^* 100 / 71 mat + (* + 00011350 K 2^* 149 / - 2000 K 2^* 149 / 57850 K 2^* 149 / - 6050 K 2^* 149 / 71 mat T# diff 298 T# - (* - 00011350 K 2^* 149 / 2000 K 2^* 149 / - 57850 K 2^* 149 / 6050 K 2^* 149 / - 71 mat - (* + (* + 2 kg * T# 2^* m 2^* / -

this works 5 K 2^* T# diff 0

f,h1,h2 numeric: wrong solution - out of given range - don't know why T# f 10002500 eps maxiter 1 Secant 2069.7617 411 mat 21 mat

f,h1,h2 numeric: can not solve (f(1000)*f(2500)>0 - don't know why)
removing the sign limiter: solution converge in the wrong solution (2535.6559)- out of given range - don't know why T# f 10002500 eps maxiter 1 Brent 2069.7617 411 mat 21 mat

f,h1,h2 numeric: can not solve (f(1000)*f(2500)>0 - don't know why)
removing the sign limiter: solution converge in the wrong solution (2535.6559)- out of given range - don't know why T# f 10002500 eps maxiter 1 BDQRF 2069.7617 311 mat 21 mat

f,h1,h2 numeric: can not solve (f(1000)*f(2500)>0 - don't know why)
removing the sign limiter: solution converge in the wrong solution (2535.6559)- out of given range - don't know why T# f 10002500 eps maxiter 1 Bisection 2069.7617 4111 mat 21 mat

f,h1,h2 numeric: can not solve (f(1000)*f(2500)>0 - don't know why)
removing the sign limiter: solution converge in the wrong solution (2535.6559)- out of given range - don't know why T# f 10002500 eps maxiter 1 Ridder 2069.7617 411 mat 21 mat