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Welcome. Monday, 24-Jun-24  4:06
The KEM interface of JESS is a major facility that permits kinetic
calulations to be coupled with chemical equilibria. Differential
equations that involve terms based on chemical speciation can be
set up and solved. A number of algorithms are available, including
Runga-Kutta and Bulirsch-Stoer with adaptive stepsize. The KEM
interface can thus be used to model multicompartmental systems in
which mass transport and/or chemical kinetics are important.
You should note that the KEM subsystem is not included in the standard
distribution of JESS. This is for various reasons, most difficult of
of which is the need for a compiler compatible with with our own
Lahey F77L-EM/32 FORTRAN 77 Version 5.10 for 80386/80486 computers).
This is because KEM models involve the automatic production of
FORTRAN code for the specific equilibrium calculations that are
to be performed. Since such calculations can be intensive and tend
to be executed very many times, it is impracticable for them to be
performed in the more general but much less efficient way of program
DOQED. Instead, the necessary mass balance equations, equilibrium
constants and other data are embodied in a number of FORTRAN
subroutines that must be compiled and linked into a program tailored
specifically for each model.
Contact the authors for further details about how, if possible, the
KEM subsystem may be implemented for you.