Particle in cell simulation of combustion synthesis of TiC nanoparticles

نویسندگان

  • G. Zuccaro
  • Giovanni Lapenta
  • G. Maizza
چکیده

A coupled continuum-discrete numerical model is presented to study the synthesis of TiC nanosized aggregates during a self-propagating combustion synthesis (SHS) process. The overall model describes the transient of the basic mechanisms governing the SHS process in a two-dimensional micrometer size geometry system. At each time step, the continuum (micrometer scale) model computes the current temperature field according to the prescribed boundary conditions. The overall system domain is discretized with a desired number of uniform computational cells. Each cell contains a convenient number of computation particles which represent the actual particles mixture. The particle-in-cell (discrete) model maps the temperature field from the (continuum) cells to the respective internal particles. Depending on the temperature reached by the cell, the titanium particles may undergo a solidliquid transformation. If the distance between the carbon particle and the liquid titanium particles is within a certain tolerance they will react and a TiC particle will be formed in the cell. Accordingly, the molecular dynamic method will update the location of all particles in the cell and the amount of transformation heat accounted by the cell will be entered into the source term of the (continuum) heat conduction equation. The new temperature distribution will progress depending on the cells which will time-by-time undergo the chemical reaction. As a demonstration of the effectiveness of the overall model some paradigmatic examples are shown. Email address: [email protected] (G. Zuccaro1, G. Lapenta2,3, G. Maizza1,2). Preprint submitted to Elsevier Science 6 August 2006

برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

ثبت نام

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

منابع مشابه

Microwave-Assisted Solution Combustion Synthesis of WO3 Nanoparticles: Optical and Colorimetric Characteristics

Tungsten oxide (WO3) and tungsten oxide hydrate (WO3.H2O) nanoparticles were synthesized via microwave-assisted solution combustion in comparison with the acidic precipitation method. Oxalic acid was used as a surfactant and forming agent in the acidic precipitation method. In addition to oxalic acid, glycine and citric acid were also used as fuels in the microw...

متن کامل

Modified smoothed particle hydrodynamics (MSPH) for the analysis of centrifugally assisted TiC-Fe-Al2O3 combustion synthesis

A modified smoothed particle hydrodynamic (MSPH) computational technique was utilized to simulate molten particle motion and infiltration speed on multi-scale analysis levels. The radial velocity and velocity gradient of molten alumina, iron infiltration in the TiC product and solidification rate, were predicted during centrifugal self-propagating high-temperature synthesis (SHS) simulation, wh...

متن کامل

Synthesis of Titanium Carbide by the Combustion of TiO2-2Mg-C and 3TiO2-4Al-3C Systems in a Tubular Furnace

The combustion process of TiO2- 2Mg- C and 3TiO2-4Al-3C systems in a tubular furnace was investigated. TiC has been synthesized by the magnesiothermic reaction from a mixture of compacted powders of TiO2, Mg and charcoal as starting materials in the presence and absence of NaCl. The effects of temperature, pressure, and the stoichiometry ratio in the reactio...

متن کامل

Specific Surface Area Increment of Alumina Nanoparticles Using Mineral Fuels in Combustion Synthesis

Ammonium carbonate and ammonium sulfate have been proposed and used as two new fuels for synthesizing gamma alumina nanoparticles. The prepared samples have been characterized by X-ray diffraction (XRD), 2 N  adsorption (BET) and Transmission electron microscopy (TEM). A comparison has been made between the properties of the nanoparticles synthesized by these two fuels and other conventio...

متن کامل

ذخیره در منابع من


  با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید

برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

ثبت نام

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

عنوان ژورنال:
  • Computer Physics Communications

دوره 162  شماره 

صفحات  -

تاریخ انتشار 2004