che294f02project02 - CHE/MAE 294 F02 Project 2 Amendments 2...

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Amendments 2 on September 9, 2002 CHE/MAE 294 F02, Project 2 due Wednesday, September 11, 2002 Potential Energies of Chemical Bonds Instructions You must follow the requirements for project reports. You must turn in a hard copy of the report. Computer disks and computer files are not required. Failure to complete this project will result in a failing grade for the class. This project is best done with a symbolic math program such as Maple or MathCad. If you use a spreadsheet or other graphing program to create the plot, you are responsible for justifying that you have used a sufficient number of discreet data points in the curve to represent the true shape of the analytical function. Project Statement Background The potential energy of a chemical bond V b (J/bond) is related to the force of the bond F b (N/bond) as the work done is separating the atoms or molecules V b F b dr ,whe re r is the separation distance of the bond. Two types of bonds have been presented in class [1], Hook’s law bonds where F b kr , and ionic bonds, where F b F c F n . In Hook’s law bonds, k is the bond constant (N/m). In ionic bonds, the Coulombic and nuclear terms are given as F c k o Z 1 Z 2 q 2 r 2 2 F n λ exp r ρ In the above, k o 9 10 9 Vm /C , Z i are the valences of the ions in the bond, q is the charge on an electron (1 601 19 λ (N/bond) and ρ (m) are constants used to fit the repulsive portion of the ionic bond force curve. Integration of the force expression for Hook’s law bonds gives the potential energy of the bond V b HL in J/mol as V b HL 1 2 kN o r r o 2 D o where r o is the equilibrium bond distance (m),
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che294f02project02 - CHE/MAE 294 F02 Project 2 Amendments 2...

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