TBI-Preprint 04-01-002

Titel:
Multi-Phase Artificial Chemistry

Author(s):
Gil Benkü, Christoph Flamm, Peter F. Stadler

submitted to:
GWAL, (2004)

Abstract:
Artificial chemistries can be used to explore the generic properties of chemical reaction networks. In order to simulate for instance scenarios of prebiotic evolution the model must be close enough to real chemistry to allow at least semi-quantitative comparisons. One example is a previously described Toy Model that represents molecules as graphs, thereby neglecting 3D space, and employs a highly simplified version of the Extended Hükel Theory (EHT) to compute molecular properties. Here we show how the Toy Model can be extended to multiple phases by connecting the EHT calculations with chemical thermodynamics.

Keywords: Artifical Chemistry, Prebiotic Evolution

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