How Should the Partition Function of Bound O2 Be Calculated?

In summary, the first solution considers all the possible situations, while the second solution only considers the situation where all the sites are filled.
  • #1
Kelly Lin
29
0

Homework Statement


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Homework Equations


I have question for (a) section.

The Attempt at a Solution


I have two answer for the question but I can't figure out which one is right.
(1)Since the partition function is to sum up all the state in the system, I write down the answer
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(2)In other point of view, we can first find out the partition function of one O2 molecule.
Duz8PMM.png

(either bound or unbound)

And then, since a hemoglobin can only bind four O2 molecules, I can write down
6L1DW4a.png

In my opinion, I think the first solution is more accurate since I include all the situation of that system. However, I cannot persuade myself that the second solution is wrong.(Or the reason is that Z=[Z1]N can only apply to large system?)

Please help me out~ Thanks!
 
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  • #2
In (1), you have neglected the multiplicity. How many ways are there of binding 1 of 4 molecules? How many for 2? 3? 4?
 
  • #3
mjc123 said:
In (1), you have neglected the multiplicity. How many ways are there of binding 1 of 4 molecules? How many for 2? 3? 4?
What do you mean?
My perspective is that a hemoglobin can bind at most 4 O2 molecules.Therefore, first possibility is that a hemoglobin binds one O2 molecules and second possibility is that a hemoglobin binds two O2 and so on... Moreover, since O2 molecules are identical and indistinguishable (am I right?), I write down the first solution.
 
  • #4
OK, reading the question again, I don't think it's saying there are four O2 molecules (bound or free) in the system, rather that the hemoglobin molecule has four oxygen binding sites, and the question is how many are filled (i.e. we are looking for the partition function of the hemoglobin, not the oxygen). We must assume there is an excess of oxygen, so that whether an oxygen molecule binds to a site is independent of whether the other sites are already filled. We than ask: how many ways are there of filling exactly one site? or two...?
(If we look for the PF of 4 oxygen molecules, with the equations you have written, the probabilities in (b) and (c) would be independent of λ.)
 
  • #5
mjc123 said:
OK, reading the question again, I don't think it's saying there are four O2 molecules (bound or free) in the system, rather that the hemoglobin molecule has four oxygen binding sites, and the question is how many are filled (i.e. we are looking for the partition function of the hemoglobin, not the oxygen). We must assume there is an excess of oxygen, so that whether an oxygen molecule binds to a site is independent of whether the other sites are already filled. We than ask: how many ways are there of filling exactly one site? or two...?
(If we look for the PF of 4 oxygen molecules, with the equations you have written, the probabilities in (b) and (c) would be independent of λ.)

Oh! I got your point!
So if we focus on how many sites are filled, then we can write down
ATH8CBT.png

Then my first and second solutions might be wrong? Am I correct?
 
  • #6
You need an extra +1 (for no sites filled). And you still need to work out the multiplicities. E.g. you have four sites. One of them is filled. How many ways can you do that?
 
  • #7
mjc123 said:
You need an extra +1 (for no sites filled). And you still need to work out the multiplicities. E.g. you have four sites. One of them is filled. How many ways can you do that?
Oh! You mean that we should consider the position choice. Is that correct?
 
  • #8
Yes
 
  • #9
mjc123 said:
Yes
Thanks for your help!
 

Related to How Should the Partition Function of Bound O2 Be Calculated?

1. What is the partition function of bound O2?

The partition function of bound O2 is a mathematical concept that describes the distribution of energy levels in a bound O2 molecule. It is a sum over all possible energy states of the molecule, weighted by the probability of that state being occupied at a given temperature.

2. How is the partition function of bound O2 calculated?

The partition function of bound O2 is calculated by taking into account the energy levels of the molecule's rotational, vibrational, and electronic states. Each state is assigned a degeneracy factor and multiplied by a Boltzmann factor, which is dependent on the temperature.

3. Why is the partition function of bound O2 important?

The partition function of bound O2 is important because it allows us to calculate thermodynamic quantities such as the internal energy, entropy, and free energy of the molecule. These quantities are essential in understanding the behavior of bound O2 in different environments and chemical reactions.

4. How does the partition function of bound O2 change with temperature?

The partition function of bound O2 increases with temperature due to the Boltzmann factor, which is dependent on temperature. This means that at higher temperatures, there is a higher probability of the molecule occupying higher energy states, leading to a higher partition function.

5. Can the partition function of bound O2 be used to predict the behavior of the molecule?

Yes, the partition function of bound O2 can be used to predict the thermodynamic behavior of the molecule in different environments. By calculating values such as the internal energy and entropy, we can determine the stability and reactivity of the molecule under different conditions.

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