Surfactants are extensively used in many chemical products to improve their stability, appearance, texture, and rheology. Precise control of the emulsion droplet size distribution, which depends on the characteristics...Surfactants are extensively used in many chemical products to improve their stability, appearance, texture, and rheology. Precise control of the emulsion droplet size distribution, which depends on the characteristics of the surfactant used, is important for target-oriented product design. A complete understand! ng of the structures and dynamics of emulsion droplets at the reactor level requires coupling of two mesoscale physical constraints, that at the interfacial level, i.e., smaller than a single droplet (Mesoscale- 1), and that at the device level, i.e., larger than a single droplet (Mesoscale-2). In this work, the structures and adsorption kinetics of Mesoscale-1 surfactant molecules were studied via coarse-grained molecular dynamics. A non-equilibrium model that could introduce stable shear flow into the simulation box was used to investigate the interfacial structures at the droplet interface under different shear rates. The configurations of the surfactant molecules and adsorption amounts were compared with those obtained without flow. The adsorption kinetics for different shear rates were compared to determine the effects of hydrodynamic interactions. The dominant mechanisms governing the dynamic structures can thus be summarized as maximization of the adsorption density at the interface and minimization of flow resistance in the bulk phase (water and/or oil molecules). A scheme for coupling between Mesoscale-1 and Mesoscale-2 is proposed. This method is promising for the incorporation of interfacial structure effects into the hydrodynamics at the reactor device level for the manipulation of chemical products.展开更多
Although the deposition mechanisms of the cold spray process are well studied, few reports regarding the use of surface-modified particles exist. Herein, titanium particles 3-39 μm in size and with an angular shape w...Although the deposition mechanisms of the cold spray process are well studied, few reports regarding the use of surface-modified particles exist. Herein, titanium particles 3-39 μm in size and with an angular shape were modified in a plasma-enhanced chemical vapor deposition process in Ar, Ar-C2H2, and N2 plasmas. After Ar-C2H2 and N2 treatments, the respective presence of TiC and TiN on the particle surface was confirmed via transmission electron microscopy and energy-dispersive X-ray, X-ray photoelectron, and Raman spectroscopies. The powders were deposited on titanium substrates by cold spray experiments, where unmodified particles up to 10(xm in size exhibited a successful surface bon ding. This finding was described by an existing analytical model, whose parameters were achieved by computational fluid dynamics simulations taking the particle shape factor into account:. A good deposition of plasma-modified particles up to 30 μm in size was experimentally observed, exhibiting an upper size limit larger than that predicted by the model. Higher surface roughness values were found for plasmamodified particles, as determined by 3D scanning electron microscopy. The water contact angle indicated that argon treatment influenced the wettability. Tribological tests showed a decrease of the initial friction coefficient from 0.53 to 0.47 by microstructuring.展开更多
基金This work was supported by the National Natural Science Foundation of China on the Mesoscience Program (No. 91434104)the Research Center for Mesoscience at the Institute of Process Engineering, Chinese Academy of Sciences (COM2015A005)+1 种基金Chinese Academy of Sciences (XXH13506-301)the Open Research Fund of State Key Laboratory of Multiphase Complex Systems (No. MPCS-2017-D-01).
文摘Surfactants are extensively used in many chemical products to improve their stability, appearance, texture, and rheology. Precise control of the emulsion droplet size distribution, which depends on the characteristics of the surfactant used, is important for target-oriented product design. A complete understand! ng of the structures and dynamics of emulsion droplets at the reactor level requires coupling of two mesoscale physical constraints, that at the interfacial level, i.e., smaller than a single droplet (Mesoscale- 1), and that at the device level, i.e., larger than a single droplet (Mesoscale-2). In this work, the structures and adsorption kinetics of Mesoscale-1 surfactant molecules were studied via coarse-grained molecular dynamics. A non-equilibrium model that could introduce stable shear flow into the simulation box was used to investigate the interfacial structures at the droplet interface under different shear rates. The configurations of the surfactant molecules and adsorption amounts were compared with those obtained without flow. The adsorption kinetics for different shear rates were compared to determine the effects of hydrodynamic interactions. The dominant mechanisms governing the dynamic structures can thus be summarized as maximization of the adsorption density at the interface and minimization of flow resistance in the bulk phase (water and/or oil molecules). A scheme for coupling between Mesoscale-1 and Mesoscale-2 is proposed. This method is promising for the incorporation of interfacial structure effects into the hydrodynamics at the reactor device level for the manipulation of chemical products.
文摘Although the deposition mechanisms of the cold spray process are well studied, few reports regarding the use of surface-modified particles exist. Herein, titanium particles 3-39 μm in size and with an angular shape were modified in a plasma-enhanced chemical vapor deposition process in Ar, Ar-C2H2, and N2 plasmas. After Ar-C2H2 and N2 treatments, the respective presence of TiC and TiN on the particle surface was confirmed via transmission electron microscopy and energy-dispersive X-ray, X-ray photoelectron, and Raman spectroscopies. The powders were deposited on titanium substrates by cold spray experiments, where unmodified particles up to 10(xm in size exhibited a successful surface bon ding. This finding was described by an existing analytical model, whose parameters were achieved by computational fluid dynamics simulations taking the particle shape factor into account:. A good deposition of plasma-modified particles up to 30 μm in size was experimentally observed, exhibiting an upper size limit larger than that predicted by the model. Higher surface roughness values were found for plasmamodified particles, as determined by 3D scanning electron microscopy. The water contact angle indicated that argon treatment influenced the wettability. Tribological tests showed a decrease of the initial friction coefficient from 0.53 to 0.47 by microstructuring.
