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

Titulo: 
PumpKin: A tool to find principal pathways in plasma chemical models
Autores: 
Markosyan, AH; Luque, A; Gordillo-Vazquez, FJ; Ebert, U
Resumen: 
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 species. This allows a researcher to focus on the slow chemical dynamics, eliminating the shortest timescales. Based on the algorithm described by Lehmann (2004), PumpKin automates the process of finding such pathways, allowing the user to analyze complex kinetics and to understand the consumption and production of a certain species of interest. We designed PumpKin with an emphasis on plasma chemical systems but it can also be applied to atmospheric modeling and to industrial applications such as plasma medicine and plasma-assisted combustion. (C) 2014 Elsevier B.V. All rights reserved.
Autor principal: 
Markosyan, AH
Autor/es del IAA: 
Luque, A.; Gordillo-Vazquez, F. J.
DOI: 
10.1016/j.cpc.2014.05.019
Revista: 
COMPUTER PHYSICS COMMUNICATIONS
Fecha de publicación: 
2014/10
Volumen: 
185
Issue: 
10
Páginas: 
2697-2702
Tipo de documento: 
Article
Palabras clave: 
PumpKin; Pathway reduction; Chemical pathway analysis; Plasma chemistry; Pathway reduction; Plasma combustion