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Template for Final Exam
Template for Chem 352 Final Exam
Save this final as "Last_Name_Final_Exam." Save the simulation in the ORIGINAL state, with instructions on how to run it (what variables to change)
and a description of the observed results, how you interpret them, and the conclusions you draw from the results to answer the original question.
The first part of the assignment is to choose a question to investigate that meets two criteria:
1. It is interesting and addresses an issue you want to learn more about by conducting a computer experiment.
2. It is specific enough to be doable -- to be able to construct a set of simple simulations in which you can investigate
the effects of specific variables one at a time (for example, mass, intermolecular forces, size of particles, temperature etc.).
Your Name:{____________________________}
1. State the Question you are investigating:
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2. Explain why this quesion is interesting:
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3. Explain why this quesion is specific enough to be testable with simulation so as to give a definite answer.
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4. Describe your reasoning in building the simulation the way you did, the testing you did, and changes you
had to make to make it work.
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5. What variables will stay fixed for the experiment and how did you choose the values for those variables?
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6. What variable will you change to answer the question? Over what range of values will you test the effect of the variable?
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7. What variables will you monitor or measure? How will you output or measure them? Examples of variables we
have output include the volume, the temperature (or average KE), the total energy, the potential energy, the arrangements of
particles, etc.
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8. Usually you need to equilibrate your simulation before running to measure results. Will you equilibrate your simulation with the heat bath on (Isothermally) or without the heat bath -- i.e. Adiabatically? Explain.
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9. When you actually run the simulation -- will you do it with the heat bath on or off? Explain.
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10. Provide directions for someone else to run your simulations to reproduce the experiments you got, and describe the results you obtained:
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11. State the answer to your question and intepret the results in terms of relevant fundamental concepts (for example, Conservation of momentum, conservation of energy, conservation of charge, Coulomb's Law, Entropy, etc.). Any surprises?
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Build simulations Here:
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