Equilibrium constants for reactions can be determined from partition functions. For a generic reaction: аА+bв €сС + dD (qc)°(qp)ª Keq e-AEoß where the q is the full molecular partition function except for the electronic part (i.e. q=qvibqrotqtrans) for each type of molecule and the AEo is the difference in energy between the products and the reactants. For the reaction: H2O + DC1 E→HOD+HCl AEo= -2.1 kJ/mole. H2O has 3 vibrational modes with energies 3656 cm-', 1594 cml and 3756 cm-1 HOD has 3 vibrational modes with energies 2727 cm-', 1402 cm-l and 3708 cm-! HCl has one vibration at 2991 cm-' and DCl has one vibration at 2145 cm! For HCl, Orot =15.02K, For DCI, Orot 7.84K H2O has 3 rotational temperatures: Orot = 40.1K, 20.9K and 13.4K HOD has 3 rotational temperatures: Orot = 33.7K, 13.1K and 9.2K Determine Keq for the reaction at 298K.

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Equilibrium constants for reactions can be determined from partition functions. For a generic
reaction:
aA+bB E>cC + dD
(9c)°(qp)ª
Keg
, - ΔΕοβ
where the q is the full molecular partition function except for the electronic part (i.e.
q=qvibqrotqtrans) for each type of molecule and the AEo is the difference in energy between
the products and the reactants. For the reaction:
H2O + DC1 €→HOD+HCI
AEo= -2.1 kJ/mole.
H2O has 3 vibrational modes with energies 3656 cm-1, 1594 cm-1 and 3756 cm-1
HOD has 3 vibrational modes with energies 2727 cm-1, 1402 cm- and 3708 cm-!
HCl has one vibration at 2991 cm-l and DCl has one vibration at 2145 cm!
For HCl, Orot = 15.02K, For DCI, Orot 7.84K
H2O has 3 rotational temperatures: Orot = 40.1K, 20.9K and 13.4K
HOD has 3 rotational temperatures: Orot = 33.7K, 13.1K and 9.2K
Determine Keq for the reaction at 298K.
Transcribed Image Text:Equilibrium constants for reactions can be determined from partition functions. For a generic reaction: aA+bB E>cC + dD (9c)°(qp)ª Keg , - ΔΕοβ where the q is the full molecular partition function except for the electronic part (i.e. q=qvibqrotqtrans) for each type of molecule and the AEo is the difference in energy between the products and the reactants. For the reaction: H2O + DC1 €→HOD+HCI AEo= -2.1 kJ/mole. H2O has 3 vibrational modes with energies 3656 cm-1, 1594 cm-1 and 3756 cm-1 HOD has 3 vibrational modes with energies 2727 cm-1, 1402 cm- and 3708 cm-! HCl has one vibration at 2991 cm-l and DCl has one vibration at 2145 cm! For HCl, Orot = 15.02K, For DCI, Orot 7.84K H2O has 3 rotational temperatures: Orot = 40.1K, 20.9K and 13.4K HOD has 3 rotational temperatures: Orot = 33.7K, 13.1K and 9.2K Determine Keq for the reaction at 298K.
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