Crystalline Behavior of Paraffin Wax.

Paraffin wax deposition has long been a vexing problem in industry. Especially, in offshore oil production, paraffin wax deposits and clogs pipes and containers because of low temperature, causing severe economic loss. It has been known that the crystallization of n-alkanes mainly causes the deposition of paraffin wax, which is necessary to understand the mechanism of the crystallization behavior of paraffin wax. We solve the challenge of describing the crystallization behavior of the alkane mixture system and evaluate the contributions of every carbon atom to crystallization based on the occupied volume, structure entropy, and order parameter. These results demonstrate that the middle atoms are the main contributor to crystallization, and the end atoms of n-alkanes are unfavorable for the crystallization of n-alkanes, showing that increasing the number of end atoms, for example, adding branched alkanes, will hinder the crystallization of paraffin wax. Furthermore, perhydrosqualene is chosen to study the inhibition of crystallization by adding branched alkanes. As there are different properties between the end and the middle atoms, based on the principle of dissolution with similar properties, a small number of branched alkanes will promote crystallization. Also, an inhibitory effect of the end atoms is observed when the proportion of branched alkanes increases to a certain percentage. Our simulation work describes the crystallization behavior of paraffin wax in detail, providing theoretical assistance for preventing and controlling paraffin deposition.

Polymer pattern-induced self-assembly of inorganic nanoparticles.

Functional assemblies of inorganic nanoparticles (NPs) are widely studied owing to their collective electromagnetic properties and various application from nanodrugs and bioimaging. In most cases, the superstructures of NPs are prepared with the assistance of templates or external fields. Therefore, how to prepare the functional assemblies of NPs more simply remains a challenge. Here, a free-template assembly strategy for preparing the superstructures of NPs is proposed in our work. In our strategy, we design poly(glycerol monomethacrylate)-b-poly(2-hydroxypropyl methacrylate) (PGMA-b-PHPMA) coated NPs. Then, using the polymerization-induced self-assembly (PISA), hydrophobic PHPMA blocks resulted in the phase separation to form the orderly patterns, which is expected to induced NPs to self-assemble into the orderly superstructures. By DPD simulations, we find that the disk, ring, composite superstructures can be obtained by regulating the graft density, verifying that our assembly strategy of NPs is feasible. Even more interesting is that NPs are also distributed in an orderly way on the surface of aggregations to form the orderly NP patterns. Besides that, the thermodynamics, dynamics, and structure details in the self-assembly process of HINPs are shown in our work, providing a new idea and elaborate physical picture for the following preparation of the superstructure of NPs.