The thermal stability of the polyethylene (PE) separator is of utmost importance for the safety of lithium-ion batteries. Although the surface coating of PE separator with oxide nanoparticles can improve thermal stability, some serious problems still exist, such as micropore blockage, easy detaching, and introduction of excessive inert substances, which negatively affects the power density, energy density, and safety performance of the battery. In this paper, TiO₂ nanorods are used to modify the surface of the PE separator, and multiple analytical techniques (e.g., SEM, DSC, EIS, and LSV) are utilized to investigate the effect of coating amount on the physicochemical properties of the PE separator. The results show that the thermal stability, mechanical properties, and electrochemical properties of the PE separator can be effectively improved via surface coating with TiO₂ nanorods, but the degree of improvement is not directly proportional to the coating amount due to the fact that the forces inhibiting micropore deformation (mechanical stretching or thermal contraction) are derived from the interaction of TiO₂ nanorods directly “bridging” with the microporous skeleton rather than those indirectly “glued” with the microporous skeleton. Conversely, the introduction of excessive inert coating material could reduce the ionic conductivity, increase the interfacial impedance, and lower the energy density of the battery. The experimental results show that the ceramic separator with a coating amount of ~0.6 mg/cm² TiO₂ nanorods has well-balanced performances: its thermal shrinkage rate is 4.5%, the capacity retention assembled with this separator was 57.1% under 7 C/0.2 C and 82.6% after 100 cycles, respectively. This research may provide a novel approach to overcoming the common disadvantages of current surface-coated separators.

Coal dust is a significant concern to the safety of coal mine operations. The wettability of coal can be effectively altered by adding surfactants to water. The development of high-efficiency dust suppressants is hampered by a lack of understanding of the microscopic interaction process between coal dust and surfactants. In this investigation, the influence of the branched structure of the polyoxyethylene unit in nonionic surfactants on the wettability of anthracite surfaces was evaluated by combining the modeling study and experimental research. The macromolecular model of Jincheng anthracite with 55 different components (C₇₇₃₀H₃₉₁₆O₁₃₃N₁₂₃S₂₅) was constructed. Lauryl polyoxyethylene ether C₁₂(EO)₂₀ and Tween 20 were selected. The simulation results showed that due to the branched structure of polyoxyethylene, the surface of anthracite after adsorption by Tween 20 is more hydrophilic. Further analysis found that the adsorption configuration of Tween 20 is that the hydrophilic head group covers the hydrophobic tail chain, while the adsorption configuration of C₁₂(EO)₂₀ is that the hydrophobic tail chain covers the hydrophilic head group. The network structure formed by Tween 20 is relatively loose, and the surface is rougher. The network structure formed by C₁₂(EO)₂₀ is denser. Water molecules have a higher aggregation degree near Tween 20 and stronger permeability, and more hydrogen bonds are formed. The existence state of carbon and oxygen elements on the surface of modified coal was analyzed by XPS experiment, which confirmed the adsorption structure obtained by molecular simulation.

In order to explore the effect of the attachment site of the benzene ring in the backbone of the surfactant on its diffusion characteristics on the surface of anthracite, the molecular dynamics simulation method was used, and the four isomers (m-C16, m = 2,4,6,8; m represents the attachment site of the benzene ring in the backbone) of sodium hexadecyl benzene sulfonate (SHS) were selected. Binary models of surfactant/anthracite, surfactant/graphene modified by oxygen-containing functional groups, and a ternary model of water/surfactant/anthracite were constructed. By analyzing a series of properties such as interaction energy, contact surface area, relative concentration distribution, radial distribution function, hydrophobic tail chain order parameter, etc., it is concluded that the adsorption strength of 4-C16 on the surface of anthracite is the highest; the reason is that 4-C16 has the highest degree of aggregation near the oxygen-containing functional groups on the surface of anthracite. Further investigations find that 4-C16 can be densely covered on the ketone group, and the longer branch chain of 4-C16 has the highest degree of order in the Z-axis direction.

In order to explore the adsorption characteristics of sulfonate gemini surfactants on the surface of lignite, the molecular dynamics simulation method was used, and A kind of sulfonic acid bis sodium salt (S2) and the sodium dodecyl sulfate (SDS) were selected. A binary model of surfactant/lignite adsorption system and a ternary model of water/surfactant/lignite system were constructed, and a series of properties such as adsorption configuration, interaction energy, order parameters, relative concentration distribution, number of hydrogen bonds, etc., were analyzed. The results showed that the adsorption strength of S2 on the surface of lignite was higher than that of SDS. The results indicated that the large-angle molecular chain in S2 tended to become smaller, the small-angle molecular chain tended to become larger, and the angle between the molecular chains and the Z axis tended to be concentrated, making the formed network structure denser during the adsorption process. The number of hydrogen bonds in the water-coal system was 42, and the number of hydrogen bonds in the system after S2 adsorption was 15, which was much lower than the 23 hydrogen bonds in the system after SDS adsorption, and S2 could better adsorb and wrap the oxygen-containing groups on the surface of the lignite. The comparative study of the adsorption characteristics of the two surfactants on the surface of lignite can help us better understand the influence of the surfactant structure on the adsorption strength. The research results have important theoretical and practical significance for developing new surfactants, and enriching and developing the basic theory of coal wettability.