Numerical Simulation of Synthesis of One-Dimensional Molybdenum Oxide Nanostructures in Flame Environment

The past few decades have seen a great amount of interest in the field of nanotechnology. As our world moves towards miniaturized devices nanotechnology is set to revolutionize the electronics, storage and sensing industry. Various methods for synthesis of different types of nanoparticles are being explored. A few of these processes that hold great promise for the future are the flame synthesis methods. These methods are highly efficient but at the same time it is difficult to control the morphology of the produced nanoparticles due to a high number of control parameters involved because of the complex flow processes. These issues demand a better understanding before these processes can be exploited to their maximum potential.;Most numerical methods developed cater to the simulation of spherical nanoparticles. However, it is now being increasingly understood that the shape and structure of a nanoparticle plays critical role in determining its chemical, physical and electronic properties. Therefore a high level of control on the shape of nanoparticles is highly imperative. With this purpose in mind this work proposes a novel numerical scheme to simulate the synthesis of one-dimensional nanorods and further presents mathematical simulations based on it followed by validation with experimental results.;The ability to predict the morphology of a nanoparticle formed by a synthesis process adds a distinct advantage. Therefore, intricate solutions have been found for the fluid flow and these have been coupled to each stage of nanoparticle development, namely monomer formation, nucleation, particle growth and particle transport. The numerical scheme takes into account all the details of the complex surface phenomena taking place on a nanorod. Later, factors are studied which transition the growth characteristics of a nanoparticle from one dimensional to a spherical structure, thus encompassing all the factors that influence the particle shape.;Group characteristics of nanoparticles have also been modeled by employing methods that track the growth of the entire set of nanoparticles in the flame volume. This gives a clear picture of the growth of the particle ensemble in addition to the individual particles.;This work provides a first of its kind numerical model for one-dimensional growth of nanoparticles and establishes the control parameters to achieve controlled growth of nanorods in flames.