Formula accounting for the catalyst effect on entropy.
- From: "Park, Tae-Yun" <tp-: at
:-elptrs7.rug.ac.be>
- Subject: Formula accounting for the catalyst effect on
entropy.
- Date: Wed, 28 Aug 1996 16:34:31 +0200 (DFT)
Dear all,
Please let me have your idea on the following problem.
Consider the following reaction,
+ +
C-C-C + C=C-C --->(TS)---> C-C-C-C-C (1)
C
and focus on the entropy differences between reactants and the transition
state(TS) at 298.15K , i.e.,
+
delta_S* = S(TS) - S(C-C-C) - S(C=C-C) (2)
If reaction (1) occurs in a catalytic reaction sysem, there should be
another factor(s) that influences the value of delta_S*.
Under the condition that the entropy values for all the reactants and the
product in *GAS-PHASE* are available, but NOT for the transition state,
my question is,
is it possible to construct a general formula which includes
the factor(s) which can account for the catalyst effect?
More clearly, is it possible to relate the delta_S* for catalytic
reaction to gas-phase values of entropies for reactants and product,
and some unknown parameter? I.e.,
delta_S* = function of
[ S(reactants), S(product), parameter]
If so, what does this equation look like? Should it be in a kind of
added form, i.e.,
S(reac) +/- S(prod) +/- parameter(s)
or multiplied form, i.e.,
parameter*S(reac) +/- parameter*S(prod) +/- ...
or something else??
Any suggestion/information(books, articles..)/advice will be
a great help for me.
Sincerely,
Park, TAE-YUN
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State University of Ghent
Laboratorium voor Petrochemische Techniek
Krijgslaan 281, Blok S5
9000 Gent, Belgium
TEL:+(32)-0(9)-264-4527
FAX:+(32)-0(9)-264-4999
e-mail: tp-: at :-elptrs7.rug.ac.be
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