Whats an Allomorph?
In our representation, we provide additional state memory in the form of “allomorphs” and their properties. An allomorph is a variant on a morphecule’s shape, and it may be an explicit molecule or it may itself be of surrogate or lumped character. For example, if the morphecule is N-ALKANE, its allomorphs would be the explicit species N-C2H6, N-C3H8, N-C4H10, … N-C9H20 and the properties of the morphecule would be computed by weighted sums of the properties of the allomorphs. The allomorphs are not represented by ODE equations, only the N-ALKANE species. • How does it work? The numerical solution of the coupled sets of ODEs arising from a chemical reaction mechanism is produced in time by a “marching” technique, in which the system state is advanced from a given state at time t to another state at time t+h, where h is a small time interval. In our morphecule representation, we keep the morphecule properties, which were determined “before” the time step from the initial state of the a
