Thursday, November 9, 2017

\(T_{boom}\) To The Power Of \(T_{boom}\)

When we fit \(n\) to a logarithmic function, because \(n\) vs \(Temp\) looks exponential, and we first convert to Kelvin,

        Temp K                 ln(n)
373.151.561
353.151.479
333.151.397
313.151.317
303.151.277
298.151.258
295.151.246
293.151.239
288.151.220
283.151.201
277.151.179
273.151.165
263.151.131
253.151.101
243.151.081



Mean x (x̄): 296.21666666667
Mean y (ȳ): 1.2568
Intercept (a): 0.1351233474904
Slope (b): 0.0037866763714947
Regression line equation: y=0.1351233474904+0.0037866763714947x

The regression function is,

\(n=e^{0.1351}.e^{0.003787T}=1.1447e^{0.003787T}\)

Which would then give,

\(v^2_{rms}=v^2_{boom}=\cfrac{3RT_{boom}}{nM_m}\)  --- (*)

where \(n\) here is due to clustering, not the number of moles.

\(v^2_{boom}=\cfrac{3R.T_{boom}}{1.1447e^{0.003787T_{boom}}M_m}\)

\(v^2_{boom}=\cfrac{2.2897R.T_{boom}e^{-0.003787T_{boom}}}{M_m}\)

Furthermore,

\(\cfrac{\cfrac{1}{2}{M_m}v^2_{boom}}{\cfrac{1}{2}*2.2897R.T_{boom}}={e^{-0.003787T_{boom}}}\)

Let \(M_m=m_a.N\),  \(N\) is the number in one mole and \(m_a\) the particle mass,

\(\cfrac{\cfrac{1}{2}{m_a.N}v^2_{boom}}{\cfrac{1}{2}*3R.T_{boom}}={\cfrac{1}{1.1447}e^{-0.003787T_{boom}}}=\cfrac{1}{n}\)

which is the same when we manipulate (*).  Let

\(E_a=\cfrac{1}{2}{m_a}v^2_{boom}\)

\(\cfrac{E_a}{\cfrac{3}{2}\cfrac{R}{N}.T_{boom}}=\cfrac{1}{n}\)

\(\cfrac{E_a}{\cfrac{3}{2}k.T_{boom}}=\cfrac{1}{n}\)

where \(k=\cfrac{R}{N}\)

This expression follows directly from (*) and has nothing to do with the regression line.

\(\cfrac{3}{2}k.T_{boom}\) is thermal energy per particle.  \(E_a\) is kinetic energy per particle.

\(n\) is then the ratio of ratio of thermal energy over kinetic energy per atom.  Given a distribution, \(n\) is the average number of times thermal energy is above kinetic energy.  Similarly, \(\cfrac{1}{n}\) is the average fraction of times kinetic energy is below thermal energy.  When we use a poisson distribution, \(\cfrac{1}{n}\) is the rate parameter, and the probability of a fraction \(\cfrac{1}{m}\) is given by,

\(P(\cfrac{1}{m})=e^{-\cfrac{1}{n}}.\cfrac{\cfrac{1}{n^m}}{m!}\) --- (**)

where \(\lambda=\cfrac{1}{n}\), that is \(n\) in \(E_a\) and so, \(m\) in \(E_a\) is \(\cfrac{1}{m}\).  Where the general interval of a Poisson distribution is replaced by \(E_a\) and the average number of events in the internal is replaced by the average number of \(n\) in \(E_a\) and so the probability of \(m\) events in the interval is the probability of \(m\) number in \(E_a\).  The probability mass function being,

\(P(m\,in\,interval)=e^{-\lambda}.\cfrac{\lambda^m}{m!}\)

From (**),

\(\cfrac{E_a}{\cfrac{3}{2}k.T_{boom}}=\cfrac{1}{m}\)

denotes a particular state of the particle where its thermal energy is \(m\) times its kinetic energy,  (**) becomes,

\(P(energy\,state\,m)=e^{-\cfrac{E_a}{k.\cfrac{3}{2}T_{boom}}}.\cfrac{\cfrac{1}{n^m}}{m!}\)


\(n\) here is the average number of times thermal kinetic energy of a particle is above its kinetic energy.  \(P(energy\,state\,m)\) is the probability mass function of \(m\) given \(n\); \(m\) is an integer.

Obviously,

\(P(energy\,state\,m)\propto e^{-\cfrac{E_a}{k.\cfrac{3}{2}T_{boom}}}\)

which would be the Boltzmann Distribution where

\(F(state)\propto e^{-\cfrac{E}{kT}}\)

if not for the factor \(\cfrac{3}{2}\) on \(T_{boom}\)

Clustering does not propagate back to the equation,

\(v_{boom}=3.4354*\cfrac{density}{Z}\)

because this expression requires the molecule to behave like a quasi-nucleus, with a concentration \(\psi\), subjected to collision.