用于合成纯硅分子筛 AST 和 LTA 的动态有机结构导向剂(英文)

Pure-silica-zeolite(PSZ) AST and LTA are synthesized successfully by using the same structure-directing agent(SDA) molecule,but at different concentrations.A dynamic organic SDA is proposed to discuss the mechanism of phase discrimination between AST and LTA.Data suggest that the SDA molecules can self-assemble into dimer or trimer complexes at different concentrations by π-π interactions,and these differences can be taken advantage of to selectively synthesize either PSZ AST or LTA.These deviations from the Liebau's rules indicate that small changes in SDA chemistry,structure,and order in solution can have a great impact on the structure selectivity of the zeolite synthesis.     

A Note on the Numerical Treatment of the k-epsilon Turbulence Model*

Numerical solution of the equations arising from the κ mdash; ε turbulence model has difficulties inherent to nonlinear convection-reaction-diffusion equations with strong reaction terms, resulting in that numerical schemes easily become unstable. We present a formulation that stresses on the robustness of the solution method, tackling common problems that produce instability. The main contribution concerns the loss of positivity of κ and ε, which is addressed by acting on the coefficients of the reaction and diffusion terms rather than on the turbulent variables themselves. In addition, a linearized implicit, non-iterative, treatment of the wall law is proposed.