P. Pal et al., A numerical solution to enzyme emulsion liquid membrane reactor model for sequential bienzymatic reaction, I J CHEM T, 8(4), 2001, pp. 307-313
Dynamic mathematical models of liquid membrane-immobilized multienzyme reac
tion systems involve a large number of algebraic, ordinary and nonlinear pa
rtial differential equations with different types of boundary conditions. S
olutions of such model equations are often difficult and stand in the way o
f realistic modeling efforts in this field. In the present study, attempt h
as been made to numerically solve such model equations for a liquid membran
e-immobilized sequential bienzymatic reaction system through development of
a software (MEMBSOL). In the solution process, partial differential equati
ons have been converted into ordinary differential equations by using a fin
ite difference technique in which the spatial derivatives have been discret
ized while leaving the temporal derivatives unconverted. Through mathematic
al manipulations, use of fictitious points at the boundaries has been elimi
nated thereby making the solution-approach a general-purpose one. To integr
ate the differential equations, Runge-Kutta-Fehlberg method has been applie
d. An automatic step-size adjustment mechanism has been incorporated in the
integration process to produce results with a reasonably desired level of
accuracy. In the present computations, numerical solutions with 0.1 percent
relative error have been obtained.