CHAPTER 6 – Macromolecular crystal growth at macroscopic length scales

This chapter presents the introduction of new mathematical models and tools devoted to a somewhat macroscopic approach to macromolecular crystallization, focusing on the phenomena of nucleation, sedimentation, g-jitter effects, and the case of a very large number of crystals simultaneously growing in the reactor. It also provides the information and insights into the physics that may lead to rational guidelines that can increase the probability of success in crystallizing protein substances. It describes how the prototype numerical examples fit the corresponding experimental processes. The consistency of numerical predictions with experimental data suggests that rate-controlling steps are taken into account, that the integral approach used to handle the surface kinetics does not distort actual behavior, and finally provides validation for the theoretical models and techniques. Comparison between experimental observations and numerical simulations in the presence of convection and sedimentation and without them is considered to give insight into the potential influence that crystal motion within the surrounding liquid may have on the ground and in space on the International Space Station. The shape of the crystals is ignored while sacrificing little in accuracy for the macroscopic description of the spatiotemporal behaviors. Evidence of the reliability of the present assumptions is provided by the good agreement between experimental and numerical results presented.