CH4 (g) + 2O2 (g) 2H2O(g) + CO2 (g)

ENERGI PERSENYAWA

CH4

------------MM2 Minimization------------

Note: All parameters used are finalized (Quality = 4).

Iteration 2: Minimization terminated normally because the gradient norm is less

than the minimum gradient norm

Stretch: 0.0000

Bend: 0.0000

Stretch-Bend: 0.0000

Torsion: 0.0000

Non-1,4 VDW: 0.0000

1,4 VDW: 0.0000

Total Energy: 0.0000 kcal/mol

Calculation completed
O2

------------MM2 Minimization------------

Warning: Some parameters are guessed (Quality = 1).

Iteration 12: Minimization terminated normally because the gradient norm is

less than the minimum gradient norm

Stretch: 0.2471

Bend: 122.9891

Stretch-Bend: 0.0000

Torsion: 0.0000

Non-1,4 VDW: 0.0000

1,4 VDW: 0.0078

Dipole/Dipole: 11.3249

Total Energy: 134.5688 kcal/mol

Calculation completed
H2O

------------MM2 Minimization------------

Warning: Some parameters are guessed (Quality = 1).

Iteration 10: Minimization terminated normally because the gradient norm is

less than the minimum gradient norm

Stretch: 0.0000

Bend: 0.0288

Stretch-Bend: 0.0000

Torsion: 0.0000

Non-1,4 VDW: 0.0000

1,4 VDW: 0.0000

Dipole/Dipole: 0.0000

Total Energy: 0.0288 kcal/mol

Calculation completed

CO2
------------MM2 Minimization------------

Warning: Some parameters are guessed (Quality = 1).

Iteration 21: Minimization terminated normally because the gradient norm is

less than the minimum gradient norm

Stretch: 0.3272

Bend: 122.9941

Stretch-Bend: 0.0000

Torsion: 0.0000

Non-1,4 VDW: -0.0176

1,4 VDW: -0.1516

Dipole/Dipole: 19.1640

Total Energy: 142.3161 kcal/mol

Calculation completed
 CH4 (g) + 2O2 (g) 2H2O(g) + CO2 (g)
Entalpi :