Methanol synthesis from CO2 using a silicone rubber/ceramic composite membrane reactor

A one-dimensional isothermal pseudo-homogeneous parallel flow model was developed for the methanol synthesis from CO2 in a silicone rubber/ceramic composite membrane reactor. The fourth-order Runge-Kutta method was adopted to simulate the process behaviors in the membrane reactor. How those parameters affect the reaction behaviors in the membrane reactor, such as Damkohler number Da, pressure ratio p(r), reaction temperature T, membrane separation factor alpha, membrane permeation parameter phi , as well as the non-uniform parameter of membrane permeation L-1, were discussed in detail. Parts of the theoretical results were tested and verified; the experimental results showed that the conversion of the main reaction in the membrane reactor increased by 22% against traditional fixed bed reactor, and the optimal non-uniform parameter of membrane permeation rate, L-1.opt ,does exist. (C) 2003 Elsevier B.V All rights reserved.

Computational study on the addition of HCN to methanimine catalyzed by formamidine and formamide

In this paper, we have carried out a theoretical study on the addition of HCN to methanimine with formamidine or formamide using second-order Moller-Plesset perturbation (MP2) method with 6-31 + G(d,p) basis sets. At MP2 level. a high-energy, intermediate has been located for each pathway. The addition of HCN to methanimine with formamidine has the lowest free energy barrier according to the calculations at MP2 level. (C) 2004 Elsevier B.V. All rights reserved.

The effects of CO2 addition on the partial oxidation of heptane for hydrogen generation

The effects of CO2 on the partial oxidation of heptane for hydrogen generation have been studied. Based on the experimental results and thermodynamic equilibrium calculations, the validity of CO2 addition to weaken the hot spots, and the feasibility of the autothermal operation are discussed.

Concise synthesis of novel practical sulfamide-amine alcohols for the enantioselective addition of diethylzinc to aldehydes

Novel sulfamide-amine alcohol ligands were designed using a grafting strategy and synthesized from readily available starting materials via a simple, efficient method. The key features of these ligands for the asymmetric addition of diethylzinc to aldehydes included stability, enhanced effectiveness without using Ti((OPr)-Pr-i)(4), suitability for a variety of aldehydes, the ability to operate at room temperature, and selectability to afford either absolute configuration products with enantiomeric excess up to >99%.