exercises:2015_ethz_mmm:reaction_energy
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exercises:2015_ethz_mmm:reaction_energy [2015/04/16 15:30] – [1.Step] oschuett | exercises:2015_ethz_mmm:reaction_energy [2020/08/21 10:15] (current) – external edit 127.0.0.1 | ||
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====== Reaction Energy ====== | ====== Reaction Energy ====== | ||
- | In this exercise, you will calculate the reaction energy for the methane combustion reaction: | + | In this exercise, you will calculate the reaction energy for the **methane combustion** reaction: |
\[ CH_4 + 2O_2 \rightarrow CO_2 + 2H_2O \] | \[ CH_4 + 2O_2 \rightarrow CO_2 + 2H_2O \] | ||
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<code - CH4.inp > | <code - CH4.inp > | ||
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&GLOBAL | &GLOBAL | ||
PROJECT CH4 | PROJECT CH4 | ||
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&END SUBSYS | &END SUBSYS | ||
&END FORCE_EVAL | &END FORCE_EVAL | ||
- | |||
- | |||
</ | </ | ||
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< | < | ||
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METHOD Quickstep | METHOD Quickstep | ||
& | & | ||
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... | ... | ||
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</ | </ | ||
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1 2 2 1 1 | 1 2 2 1 1 | ||
1.00000000 | 1.00000000 | ||
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</ | </ | ||
exercises/2015_ethz_mmm/reaction_energy.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1