Benkö, Gil, Christoph Flamm, and Peter F. Stadler. “Multi-phase artificial chemistry.” The logic of artificial life: abstracting and synthesizing the principles of living systems (2004): 16-22.
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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 H ückel 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.