Droplet Condensation and Transport Properties on Multiple Composite Surface:A Molecular Dynamics Study

To investigate the microscopicmechanism underlying the influence of surface-chemical gradient on heat andmass recovery,a molecular dynamicsmodel including droplet condensation and transport process has been developed to examine heat and mass recovery performance.This work aimed at identify optimal conditions for enhancing heat and mass recovery through the combination of wettability gradient and nanopore transport.For comprehensive analysis,the structure in the simulation was categorized into three distinct groups:a homogeneous structure,a small wettability gradient,and a large wettability gradient.The homogeneous surface demonstrated low efficiency in heat and mass transfer,as evidenced by filmwise condensation.In contrast,the surface with a small wettability gradient experienced a transition from dropwise condensation to filmwise condensation,resulting in a gradual decrease in the efficiency of vapor heat and mass transfer.Only a large wettability gradient could achieve periodic and efficient dropwise condensation heat and mass transfer which was attributed to the rapid droplet coalescence and transport to the nanopore after condensing on the cold surface.

Molecular Dynamics Study on Hydrothermal Response of PNIPAM:From Single Chain to Cross-Linked Polymer

Thermosensitive hydrogel can integrate vapor molecular capture,in-situ liquefaction,and thermal-induced water release for freshwater capture.This study aimed to examine the dynamic behavior of poly(N-isopropylacrylamide)(PNIPAM)single chain and cross-linking thermosensitive hydrogel through molecular dynamics simulation.Specifically,the impact of lower critical solution temperature(LCST)on the conformation of polymer chain and the interaction between water and polymer chain were also investigated.The polymer chain conformation underwent a transition from coil to globule when the temperature exceeded the LCST,indicating the temperature responsiveness of PNIPAM.Additionally,thermosensitive hydrogel samples with different cross-linking degrees(DOC)were studied,and relevant parameters such as the number of free water,the diffusion coefficient of water,and the pore size distribution were counted to evaluate the temperature responsiveness and water release characteristics of thermosensitive hydrogel.

Droplet Self-Driven Characteristics on Wedge-Shaped Surface with Composite Gradients:A Molecular Dynamics Study

The self-driven behavior of droplets on a functionalized surface,coupled with wetting gradient and wedge patterns,is systematically investigated using molecular dynamics(MD)simulations.The effects of key factors,including wedge angle,wettability,and wetting gradient,on the droplet self-driving effect is revealed from the nanoscale.Results indicate that the maximum velocity of droplets on hydrophobic wedge-shaped surfaces increases with the wedge angle,accompanied by a rapid attenuation of driving force;however,the average velocity decreases with the increased wedge angle.Conversely,droplet movement on hydrophilic wedge-shaped surfaces follows the opposite trend,particularly in terms of average velocity compared to the hydrophobic case.Both wedge-shaped and composite gradient wedge-shaped surfaces are found to induce droplet motion,with droplets exhibiting higher speeds and distances on hydrophobic surfaces compared to hydrophilic surfaces,regardless of surface type.Importantly,the inclusion of wettability gradients significantly influences droplet motion,with hydrophobic composite gradient wedge-shaped surfaces showing considerable improvements in droplet speed and distance compared to their hydrophilic counterparts.By combining suitable wettability gradients with wedge-shaped surfaces,the limitations inherent in the wettability gradient range and wedge-shaped configuration can be mitigated,thereby enhancing droplet speed and distance.The findings presented in this paper offer valuable insights for the design of advanced functional surfaces tailored for manipulating droplets in real-world applications.