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RATE CONSTANT

PostPosted: 08 December 2017, 06:21
by thubelihle
Hi.
l am given a rate constant. k, at one temperature only. The simulation requires activation energy, E and pre-exponential factor, A, which are not provided in the paper. How do l calculate E and A with only one k at one temperature? if given k at two temperatures l would have used the Arrhenius equation, but l only have k at one temperature.

Re: RATE CONSTANT

PostPosted: 08 December 2017, 10:25
by jasper
If you have the rate constant only for one temperature, you can simply not enter the Arrhenius term (which is ok as long as your reaction is performed on the temperature at which you know the rate constant).

Re: RATE CONSTANT

PostPosted: 09 December 2017, 03:33
by thubelihle
Attached is the picture of the required simulation input. lt requires input of A and Ea and not k. Thanks

Re: RATE CONSTANT

PostPosted: 09 December 2017, 13:18
by jasper
Which application is that?

Re: RATE CONSTANT

PostPosted: 09 December 2017, 14:58
by thubelihle
lts DWSIM, learning COCO and DWSIM at the same time

Re: RATE CONSTANT

PostPosted: 10 December 2017, 08:27
by jasper
I imagine there too you can set the activation energy to 0, which is the same as no Arrhenius term (as exp(0)=1).