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Energi Ikatan CH4 dan Reaksinya

The document describes the reaction of methane and oxygen to produce water and carbon dioxide. It then provides the results of MM2 minimization calculations for the energy and structural parameters of each molecule involved in the reaction: methane, oxygen, water, and carbon dioxide. The total energies calculated for each molecule are also reported.

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Nur Natasya
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3 views5 pages

Energi Ikatan CH4 dan Reaksinya

The document describes the reaction of methane and oxygen to produce water and carbon dioxide. It then provides the results of MM2 minimization calculations for the energy and structural parameters of each molecule involved in the reaction: methane, oxygen, water, and carbon dioxide. The total energies calculated for each molecule are also reported.

Uploaded by

Nur Natasya
Copyright
© All Rights Reserved
We take content rights seriously. If you suspect this is your content, claim it here.
Available Formats
Download as DOCX, PDF, TXT or read online on Scribd

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 :

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