Crystal clogging continues to be a general problem in the tubular continuous crystallization process. We investigated the crystal adhesion mechanism in milliliter-scale tubular crystallizers using experimental and molecular dynamics (MD) methods with glycine as a model compound. The factors that affect crystal adhesion on the surfaces of tubing materials were discussed in terms of chemical and physical properties. The primary factor determining the adhesion and clogging extent in a flowing tubular crystallizer is the interaction energy on the interface of the crystal tubing. Another factor is the roughness of the tubing surface. In addition, the clogging tendency of the two kinds of materials (steel and glass) that are normally used in the industry was predicted and confirmed by employing identical MD and experimental methods. Generally, the clogging tendency of the tubing materials is as follows: steel > silicone rubber > polyvinylidene chloride > polytetrafluoroethylene > glass. This work provides a method for the choice of crystallizer inner surface materials, which will help to solve the clogging problem in tubular continuous crystallizers.