We use molecular dynamics simulations to investigate centipede-like polymers with stiff charged side chains, end-grafted to a planar wall. The effect of the grafting density and the Bjerrum length on the conformational behaviour of the brush is examined in detail. In addition, we make a comparison of centipede-like polyelectrolyte (CPE) brushes with neutral centipede-like polymer (NCP) and linear polyelectrolyte (LPE) brushes. At weak electrostatic interaction, the main chains of the CPE chains adopt a strongly stretched conformation, and the monomer density profiles of side chains exhibit a clear oscillatory behaviour. With increasing Bjerrum length, the CPE brush undergoes a collapse transition. Compared to the CPE brushes, the counterion condensation effect is stronger for the LPE brushes, regardless of whether the electrostatic interaction is weak or strong and of whether the grafting density is low or high. Additionally, it is shown that the architecture of the grafted chains makes a weak contribution to the counterion condensation at strong electrostatic interaction. We also find that the electrostatic repulsion between charged side chains can enhance the stiffness of the main chains and thus limit the range of movement of the free-end monomers.

Drying plays an important role in the post-harvesting process of grain, and the quality of the corn after drying has received an increasing concern. The mathematical model of grain drying plays an essential role in developing grain dryer structure and obtaining the drying technological parameters. Furthermore, an accurate mathematical model is a reference for automated control during drying process. In this paper, using mathematical models and quality model of the corn drying process, a digital simulation of corn drying machine system based on a virtual instrument was established for 5HSZ dryer. Finally, an on-line measurement and automated control software of grain parameters were developed providing the changes of moisture, temperature, humidity, and germination rate in the process of drying. The experimental results show that the simulation result is valid, which has practical merit of operation and technical optimization of dryer.

We use molecular dynamics simulations method to investigate the behavior characteristics of AB diblock copolymers that are adsorbed on a planar surface. Adsorption density has been distinguished, depending on the adsorption manner of A-block on the (100) surface and formation of brushes. It is examined in detail that conformational behavior of the brushes affects the adsorption density. In addition, we make a comparison of linear brush with length ratio of the A-block to the chain, in the cases of the fixed length of chain and the fixed length of A-block, respectively. The result shows that the adsorption density is strongly affected by the length ratio of the A-block to the chain. And our findings can be used as a guide for fabrication and preparation of actual synthetic polymer brushes on a solid surface by the approach of physical adsorption.