We have expanded our numerical model of coupled bulk transport in solution
and interfacial kinetics in crystal growth [Vekilov, Lin, and Rosenberger,
Phys. Rev. E 55, 3202 (1997)] by explicitly including adsorption on and des
orption from terraces between growth steps, surface diffusion, and incorpor
ation into steps. At the steps, the surface (adsorption layer) concentratio
n C-s is assumed to be either continuous, i.e., have the same values at the
top and bottom of a step, or to be discontinuous, i.e., to take on differe
nt, respective terrace-width-dependent values. In order to maximize spatial
resolution about individual steps, we use a mesoscale grid at the solution
-crystal interface, which moves with the step positions and adjusts to the
changing terrace widths during the simulation. This model was evaluated wit
h transport and kinetics parameters characteristic for the growth of lysozy
me crystals from aqueous solutions. With continuous C-s at steps, the simul
ations reproduced the results of our previous model in which the step suppl
y field overlap was only indirectly accounted for by a step-density-depende
nt deceleration parameter in the step velocity. When discontinuities in C-s
were allowed, significantly higher bunching instability resulted. More imp
ortantly, we found that step bunching may or may not occur, depending on th
e specific step-density perturbation (magnitude, sign and rate of step-dens
ity change). This is why linear stability analyses do not predict the unste
ady growth behavior observed in our experiments and obtained in our simulat
ions. [S1063-651X(99)03203-1].