PumpKin: A tool to find principal pathways in plasma chemical models

Published: 1 January 2014| Version 1 | DOI: 10.17632/nnsf5n3wht.1
A.H. Markosyan, A. Luque, F.J. Gordillo-Vázquez, U. Ebert


Abstract PumpKin is a software package to find all principal pathways, i.e. the dominant reaction sequences, in chemical reaction systems. Although many tools are available to integrate numerically arbitrarily complex chemical reaction systems, few tools exist in order to analyze the results and interpret them in relatively simple terms. In particular, due to the large disparity in the lifetimes of the interacting components, it is often useful to group reactions into pathways that recycle the fastest... Title of program: PumpKin Catalogue Id: AETG_v1_0 Nature of problem Analyzing complex chemical models. Versions of this program held in the CPC repository in Mendeley Data AETG_v1_0; PumpKin; 10.1016/j.cpc.2014.05.019 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)



Physical Chemistry, Molecular Physics, Computational Physics, Plasma Physics