Sphynx

Thank you for the reply. I am have been and currently am looking at some experimental data provided from the libraries that are available to me. Unfortunately, this reaction seems to be very specific, and there is not much information available in the resources, however i will try to find something nonetheless.

Where is the topic moved to? I can't find it

In concern to the points above: 1. Indeed there is a catalyst involved which is a Copper Aluminum complex, and the reaction is going to be carried out under extreme conditions, meaning high temperatures and pressures in addition to the turbulence effects inside a chamber. The poisoning effect of a catalyst is a problem which can be solved at a little later stage. 2. Methanol will be instantly taken out of the chamber, but there is some methane that is going to evolve in addition to the DME (dimethyl ether) which is also going to be produced under those conditions. At this stage, i am having trouble with calculating the reaction order of the reaction of CO2 with hydrogen into methanol, as well as estimating the Activation energy and the pre exponential factor A of the Arrhenius equation. My concern about it: is it possible to calculate or estimate those dimensions on a theoretical basis? Or there is an experimental data that is required?

The problem in my calculation that i accounted, is in finding the order of the reaction, i have the concentrations and volumes of all of the species. The reaction is CO2 + 3H2 --> Methanol + Water. The reaction mechanism of this reaction is a little tricky, since all of 3 hydrogen molecules have to reduce CO2 in their own way and at the same time preferably. Therefore i am not sure about how to find the order of this reaction.

I am transferring my question from organic chemistry section to this one. For example let's take Iron, which can have the valency of 2 and 3, the question is, what factors affect the valency changes of iron, like, how to change the valency of Iron from 3 to 2?

Right, thank you

Thank you very much.

Thank you very much for the help. Also, the calculation of the reaction rate requires experimental data of the change in concentration and the time at which the change occured. On the contrary, i have only the initial concentration at hand, and no experimental data, is there a way to calculate the precise reaction rate for a certain reaction only with the theoretical data?

Ok, and how do we account for the stress in the bonds? Is there a factor or factors that we can introduce?

For example let's take Iron, which can have the valency of 2 and 3, the question is, what factors affect the valency changes of iron, like, how to change the valency of Iron from 3 to 2?

I have a project that is on a final stage, which is the calculation of energy for a certain reaction. The problem that i accounted for was that which energy is the one that is needed to be counted for a chemical reaction? Bond Dissociation Energy? Enthalpies of formation or any other kind of enthalpies? And how to convert those energies for 1 mole of reaction into Watts that needed to give out for the reaction to go? If you have any ideas please share, thank you.

I was wondering. In the reaction of full hydrogenation of 1, 4 butynediol into 1,4 butanediol, we use Platinum catalyst with Calcium Carbonate support. Is there any way to calculate the amount of catalyst needed for the reaction to go on? And how many reactions can i run before this catalyst gets wasted?