Carbon nano-materials have been widely used in many fields due to their electron transport, mechanics, and gas adsorption properties. This paper introduces the structure and properties of carbon nano-materials the preparation of carbon nano-materials by chemical vapor deposition method (CVD)—which is one of the most common preparation methods—and reaction simulation. A major factor affecting the material structure is its preparation link. Different preparation methods or different conditions will have a great impact on the structure and properties of the material (mechanical properties, electrical properties, magnetism, etc.). The main influencing factors (precursor, substrate, and catalyst) of carbon nano-materials prepared by CVD are summarized. Through simulation, the reaction can be optimized and the growth mode of substances can be controlled. Currently, numerical simulations of the CVD process can be utilized in two ways: changing the CVD reactor structure and observing CVD chemical reactions. Therefore, the development and research status of computational fluid dynamics (CFD) for CVD are summarized, as is the potential of combining experimental studies and numerical simulations to achieve and optimize controllable carbon nano-materials growth.

In this work, a numerical simulation study on the mixing characteristics of multiphase flow in an autoclave was carried out using CFD technology. The Eulerian–Eulerian model and discrete phase model (DPM) were employed to investigate the solid holdup, critical suspension speed, nonuniformity of solid suspension, gas holdup distribution, bubble tracks, and residence time during stirring leaching in the autoclave. Experiments validate the accuracy of the numerical model, and the experimental values correspond well with the simulation results. The numerical simulation results show that the solid–liquid mixing is mainly affected by the axial flow, the best agitation speed is 400 rpm, and increasing the speed further cannot make the mixture more homogenous and buildup occurred above the autoclave. The calculated critical suspension speed is 406 rpm, which is slightly lower than that obtained from the empirical formula. The gas phase is mainly concentrated in the vortex area above the blade. When the gas phase is in a completely dispersed state (N = 300 rpm), the average residence time of the bubbles is 5.66 s.

Chemical vapor deposition (CVD) has become an important method for growing graphene on copper substrates in order to obtain graphene samples of high quality and density. This paper mainly focuses on the fluid flow and transmission phenomenon in the reactor under different process operating conditions and reactor structures. Two macroscopic physical parameters that are established as important for CVD growth are temperature and pressure. Based on the special structure of a miniature T45-R Tesla valve acting as a CVD reactor structure, this study uses numerical simulation to determine the effect of the pressure field inside a Tesla valve on graphene synthesis and temperature variation on the graphene surface deposition rate. This macroscopic numerical modeling was compared to the existing straight tube model and found to improve the graphene surface deposition rate by two orders of magnitude when the 1290–1310 K reaction temperature range inside the Tesla valve was maintained and verified through the experiment. This study provides a reference basis for optimizing the reactor geometry design and the effects of changing the operating parameters on carbon deposition rates during a CVD reaction, and will furthermore benefit future research on the preparation of high-quality, large-area, and high-density graphene by CVD.

The process of graphene growth by CVD involves a series of complex gas-phase surface chemical reactions, which generally go through three processes, including gas phase decomposition, surface chemical reaction, and gas phase diffusion. The complexity of the CVD process for growing graphene is that it involves not only chemical reactions but also mass, momentum, and energy transfer. To solve these problems, the method of numerical simulation combined with the reactor structure optimization model provides a good tool for industrial production and theoretical research to explore the influencing factors of the CVD growth of graphene. The objective of this study was to establish a simplified reaction model for the growth of graphene by chemical vapor deposition(CVD) in a vertical rotating disk reactor (VRD). From a macroscopic modeling perspective, computational fluid dynamics (CFD) was used to investigate the conditions for the growth of graphene by chemical vapor deposition in a high-speed rotating vertical disk reactor on a copper substrate surface at atmospheric pressure (101,325 Pa). The effects of gas temperature, air inlet velocity, base rotation speed, and material ratio on the surface deposition rate of graphene in a VRD reactor were studied, and the technological conditions for the preparation of graphene via the CVD method in a VRD reactor based on a special structure were explored. Compared with existing models, the numerical results showed the following: the ideal growth conditions of graphene prepared using a CVD method in a VRD reactor involve a growth temperature of 1310 K, an intake speed of 470 mL/min, a base speed of 300 rpm, and an H₂ flow rate of 75 sccm; thus, more uniform graphene with a better surface density and higher quality can be obtained. The effect of the carbon surface deposition rate on the growth behavior of graphene was studied using molecular dynamics (MD) from a microscopic perspective. The simulation showed that the graphene surface deposition rate could control the nucleation density of graphene. The combination of macro- and microsimulation methods was used to provide a theoretical reference for the production of graphene.