| This dissertation is aimed at developing catalytic functional materials used for wastewater of high-throughput experimental method. We investigate a technology with rapid screening of catalytic functional materials which is capable of efficiently reducing organic pollutants and heavy metal ions. To determine the optimal structure of specific catalysts in the catalytic reaction, we have a deep understanding in the catalytic reaction mechanism and catalyst design through the using of combinatorial chemistry method and rapid screening technology. Combination of catalytic and high-throughput screening technology is applied in catalytic functional materials screening.The catalyst made of active metal in the waste water phase reaction has a strong degradation of performance to wastewater. The performance of wastewater treatment is not the same, because of the change of the physical and chemical properties applied to the technology of single active metal materials and the activity of multicomponent metal materials. At present, most researchers explore the best results of wastewater treatment through selecting several active metals to do research. There are so many metallic elements in the periodic table and in materials science, the materials properties depend not only on composition, but also on morphology, microstructure, and other parameters that are related to the material-preparation conditions. Therefore high throughput experimental method designed for wastewater catalytic functional materials screening, will bring revolutionary change in the field of wastewater treatment.The main purpose of this dissertation is the use of molecular dynamics simulation, the method of combining the theoretical analysis and experimental research, the evaporation and condensation process research from microscopic mechanism to the law of macro system, build a micro space contains ionic liquid droplets in steam on the surface of the water meter material transfer characteristics model, in order to provide high throughput screening of the design of the reactor improved method and the suggestion, and then improve the catalytic functional materials used for wastewater treatment and development of high throughput experimental method. In this paper, the main results of the study are summarized as follows:This dissertation expounds that the difference between the surface concentration and phase concentration is due to the different group of elementary particle in the solution surface or in the solution phase within the branch solution particle interaction between the changes of the situation. On the basis of the phase concentration inside has been proved by theoretical derivation and the surface concentration coefficient of the relationship depends on the surface of the discussion group component geopotential height. In addition, according to the physical interface interface layer model of phase equilibrium theory, discusses the dual component system, the set of component equilibrium vapor pressure and surface concentration, the relationship between components and equilibrium vapor pressure and phase, the relationship between the concentration found in the actual solution in interface layer in the mole fraction in the group to discuss component interface concentration and balance the relationship between vapor pressure is not obeying raoult’s law. This topic for a micro droplet in the space between the group of the mathematical model of material transfer law to provide theoretical and technical support.(Chapter Two)This research establishs a model of mass transfer between the droplets through using molecular dynamics methods from the molecular level research gas-liquid interface between vapor and liquid phase transport process, and the evaporation and condensation processes are microscopic mechanism analysis. Considering the unobvious effect of changing of single droplet, this study separate the entire size of the droplets into several areas according to a fixed size interval, and this paper take each interval as a average value. Considering a single droplet change effect is not obvious, the whole of the droplet size separated into several areas in accordance with a fixed size range, consider each interval analysis of a whole, to simplify the number of droplets into several droplets group, based on the classical theory of evaporation/condensation effective droplet model of gas liquid equilibrium. In the study of previous models, the contribution of the fluid mechanics on the mass transfer by a single model parameters represent (for example, exposure time and surface renewal rate), and does not take into account the influence of surface tension on mass transfer process. In the building model in this paper introduced the effect of contact Angle and surface tension on mass transfer.(Chapter Three)To test the micro space in different size range droplet mass transfer regularity between the accuracy of the models, the corresponding experiment scheme design, independent set up corresponding experimental apparatus. Specific describes the spray system, reaction equipment, constant temperature control system and the design process of the image acquisition system.(Chapter Four)By controlling the time and temperature in the experiment, we used Image-Pro plus6.0analysis software to analyze the droplet images. The results show that the mass transfer phenomena would occur among different size droplets. Following the running time, the number of small size droplets will reduce and the number of large-size droplets will increase. It tends that the total number of droplets in sight will reduce. By statistically analyzing the entire area fraction of droplet in different sizes ranges, we find that the mass transfer between the droplet clusters occurs mainly between the range of small size and big size range. The area fraction of the small size of droplets reduces, large size droplets are gradually increasing and droplet area fraction of the intermediate size range of change is not very obvious. The relative errors between model calculations and experimental values are small, which proves that it could reflect the true effect of the experiment under this theoretical model.(Chapter Five)... |
PDF Full Text Request