Dear colleague

Your question is a major question for researchers interested by plasma chemistry.

In fact, in my field of low temperature plasma, plasma chemistry model is used to estimate the density of some specific species (e.g. O, OH, NO, etc.) active in a specific plasma application. Therefore, the plasma chemistry modelling in air requires to collect all the reactions involving all the possible species (electrons, positive and negative ions, metastables, radicals, air byproducts as ozone, nitrate, nitrite, etc). This can corresponds to more than thousand reactions and more than hundred species. After that, you run your plasma chemistry model and then you can remove all the reactions and the species whose the weight and the contribution are negligible on the production or the loss of your active specific species (i.e. O, OH, NO, etc.). You can thus obtain a reduced (or a simplified) set of chemical reactions and species contributing to the evolution of your specific active species that for instance you can couple or consider in other plasma models (e.g. model of electrical discharge dynamics).

And about the question of what plasma chemistry model you can use. In fact, for my own research in air plasmas, I used a homemade model but for the moment I have not seen a satisfying free software able to do what I described before.

I hope that this small contribution can partly bring you what you asked.

Kindest regards

Dr Muzammil Iqbal: The following link should help: https://pure.tue.nl/ws/files/3658424/733421.pdf Concerning modelling the following should help: Article Plasma modelling and numerical simulation

Finally regarding soft ware I will respond once we are on the same page vis a vis the above links. Regards--

Dear colleague

Your question is a major question for researchers interested by plasma chemistry.

In fact, in my field of low temperature plasma, plasma chemistry model is used to estimate the density of some specific species (e.g. O, OH, NO, etc.) active in a specific plasma application. Therefore, the plasma chemistry modelling in air requires to collect all the reactions involving all the possible species (electrons, positive and negative ions, metastables, radicals, air byproducts as ozone, nitrate, nitrite, etc). This can corresponds to more than thousand reactions and more than hundred species. After that, you run your plasma chemistry model and then you can remove all the reactions and the species whose the weight and the contribution are negligible on the production or the loss of your active specific species (i.e. O, OH, NO, etc.). You can thus obtain a reduced (or a simplified) set of chemical reactions and species contributing to the evolution of your specific active species that for instance you can couple or consider in other plasma models (e.g. model of electrical discharge dynamics).

And about the question of what plasma chemistry model you can use. In fact, for my own research in air plasmas, I used a homemade model but for the moment I have not seen a satisfying free software able to do what I described before.

I hope that this small contribution can partly bring you what you asked.

Kindest regards

Yes, It is too general wording. There is no universal software for any task of plasma chemistry. Every author to praise their software.

For discharges, both ICP and CCP, CFD ACE+ and Comsol can be used. For atmospheric flows home made codes are usually used.

Gathering models is a special task without general recommendations. You should only care about presence of mechanisms of income and outcome for any species.

You can use different databases to collect the data first and start with a simple set of reactions, running it in a 0D model for example and gradually build in complexity. Check out this document on chemistry set assembly from scratch: http://www.quantemol.com/wordpress/wp-content/uploads/2018/02/Chemistry-design.pdf

You can find and download data and run 0D model and Boltzmann solver for free here www.quantemolDB.com.

A agree with others that the choice of software will depend on the pressure range and other aspects like your modelling goals.

Thanks Ijaz Durrani , Mohammed Yousfi, Yuriy Gorbachev and Anna Dzarasova for your recommendation, it ll be beneficial for new researchers interested in Plasma chemistry modelling.

Anemie Bogaerts in Antwerpen has some studies..

Efe Kemaneci some models to prefer the reaction over the other..

Difficult topic.. needs attention. So Good Luck for your future research.