When I looked at hydrotreating/hydrocracking reactors many years ago, I found the reactions very non-intuitive. I built software code for a commercial hydrotreater simulator interface and there are proprietary hydrocracking models available, but these are likely not what you are seeking. I believe you have a huge task ahead of you. I don't think there is a simple way for you get accurate results on your own. Not that you can't do this, but it won't be easy. If I had this task, I would first search the internet library of master and doctorate theses to look for step by step descriptions of the work by other students.