Synthesis Of The Probe Moleculars To Analyze The Mechanism Of Isomerization Dewaxing Reaction On Molecular Sieve

n-Octylbenzene and 3-ethylicundecane with special molecular structure were selected as probe molecular on the basis of the molecular sieve of SAPO-11 with unidimensional pore structure and 10-rings tubular. The molecular scantling of structure of the two high alkanes was calculated based on MM2 process of the molecular dynamics principle and the projection with Chem3D. The calculated molecular dimension was on the condition of the lowest potential energy when the molecular conformation was steadiest. The two high alkanes were appropriate to be the probe moleculars to study the mechanism of pore mouth and Key-Lock on isomerization of high n-alkane on the catalyst of SAPO-11 loaded metals.The synthetical route of n-octylbenzene and 3-ethylicundecane were confirmed as follows: first, the alcohol was synthesized with Grignard reagent and aldehyde; second, the alcohol dehydrated to olefin; last, the olefin hydrogenated to alkanes. The intermediate products and final products were analyzed by infrared spectroscopy on functional group,mass spectrometry on molecular weight,NMR on the characteristics of skeleton structure. Combining these three analytical tools ensured that the n-octylbenzene and 3-ethylicundecane were synthesized successfully.The synthetical conditions of alcohol dehydrated to olefin and olefin hydrogenated to alkanes were optimized. In order to gain the better conversion and the higher product yield, the influence of reaction time,temperature,the volume of sulphuric acid and the concentration of sulfuric acid to dehydration were studied, the influence of reaction time,temperature,pressure and the amount of catalyst to hydrogenation were also studied. The major factors to affect the alcohol dehydrated to olefin were reaction tempreture and the concentration of sulfuric acid. The major factors to affect the olefin hydrogenated to alkanes were reaction pressure. According to the change regularity of reactant conversion and product yield the appropriate synthesis conditions were confirmed. Proper amounts of 3-ethylicundecane and n-octylbenzene were synthesized under the appropriate conditions. The product yield was 71.24% and 68.26% respectively. The syntheses of the probe molecules were completed.