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| 1 | A Novel γ-Alumina Supported Fe-Mo Bimetallic Catalyst for Reverse Water Gas Shift Reaction显示文摘在反向的水气体,移动(RWGS ) 反应 CO2 被变换成能接着被用来生产象甲醇那样的有益的化学药品的公司。在现在的学习, Mo/Al2O3, Fe/Al2O3 和 Fe-Mo/Al2O3,催化剂是用受精方法的 synthesised。催化剂的结构用 X 光检查衍射(XRD ) 被学习, Brunauer-Emmett-Teller (赌注) 方法,诱导地联合的血浆原子排放分光计(ICP-AES ) ,温度规划了减小(H2-TPR ) ,公司化学吸着,精力散 X 光检查(EDX ) 和扫描电子显微镜学(SEM ) 技术。所有催化剂的运动性质为 RWGS 反应在一个批反应堆被调查。结果显示在 Fe-Mo/Al2O3 催化剂的结构的那瞬间存在作为与 Fe/Al2O3 相比提高它的活动。这改进可能由于更好的 Fe 分散和 Fe 种类的更小的粒子尺寸。Fe-Mo/Al2O3 催化剂的稳定性测试在一个固定的床反应堆和高公司收益被执行因为溪流上的时间的 60 h 被表明。3 阶段在新鲜、使用的催化剂的结构被发现的 Fe2 (MoO4 ) 。TPR 结果也显示 3 分阶段执行的 Fe2 (MoO4 ) 有低 reducibility,因此, 3 显著地分阶段执行的 Fe2 (MoO4 ) 在催化剂禁止留下的 Fe 氧化物的减小,导致了 Fe-Mo/Al2O3 的高稳定性催化剂。总的来说,这研究与高公司产量作为新奇催化剂介绍 Fe-Mo/Al2O3,几乎没有副产品并且为 RWGS 反应相当稳定。 | Abolfazl Gharibi Kharaji Ahmad Shariati Mohammad Ali Takassi | 2013 | Chinese Journal of Chemical Engineering2013，21，9： | 10 |
| 2 | Fuzzy model prediction of Co(Ⅲ)/Al_2O_3 catalytic behavior in Fischer-Tropsch synthesis显示文摘The application of Co(Ⅲ)/Al2O3 catalyst in Fischer-Tropsch synthesis(FTS)was studied in a wide range of synthesis gas conversions and compared with Fuzzy Simulation results.Present study applies fuzzy model to predicting the product composition of CH4,CO2 and CO in Fischer-Tropsch process for natural gas synthesis,in which the input vector was 4-dimension including four variables(operating pressure, operating temperature,time and CO/H2 ratio)of 70 different experiments and the output product is a composition of CO2,CO and CH4. The Mamdani algorithm has been applied to the training of the fuzzy system and the test set was used to evaluate the performance of the system including R2,ARE,AARE and SD.The results demonstrated that the predicted values from the model were in good consistency with the experimental data.The work indicates how fuzzy inference system(FIS),as a promising predicting technique,would be effectively used in FTS. | Mohammad Ali Takassi Mahdi Koolivand Salooki Morteza Esfandyari | 2011 | Journal of Natural Gas Chemistry2011，20，6： | 0 |
| 3 | Computational evaluation concerning the deviation of the atoms in 1-and 4-postions on the six-member ring and the effects on ^(1)HNMR chemical shift显示文摘Density functional theory(DFT)calculations were carried out on some cyclohexane derivatives to investigate the deviation atoms on the 1-and 4-positions of chair plane.The deviations of chair plane of two position in the cyclohexane derivatives were calculated at the B3LYP/6–31++G(d,p)level.Furthermore,we investigated the correlation between deviations of two positions from chair plane on the chemical shift hydrogen atoms on the 4-position. | Asadollah FARHADI Mohammad Ali TAKASSI Hamid Reza MEMARIAN Mousa SOLEYMANI | 2011 | Frontiers of Chemistry in China2011，6，2： | 0 |
| 4 | Applying density functional theory on tautomerism in 3,4- dihydropyrimidin-2(1H)-ones显示文摘In the present study,the density functional theory(DFT)and Gibbs free energy calculations were performed to investigate the stability and tautomerism of C4-substituted-3,4-dihydropyrimidin-2(1H)-ones.Three different forms are possible for the ethyl 3,4-dihydropyrimidinones(ethyl 4-aryl-6-methyl-3,4-dihydropyrimidin-2(1H)-one-5-carboxylates,ethyl 4-aryl-2-hydroxy-6-methyl-1,4-dihydropyrimidine-5-carboxylates and ethyl 4-aryl-2-hydroxy-6-methyl-3,4-dihydropyrimidine-5-carboxylates)forms that the most stable form is ethyl 4-aryl-6-methyl-3,4-dihydropyrimidin-2(1H)-one-5-carboxylates(keto-form).The obtained data showed that the substitution on the C4-substitut position can be effective on the equilibrium constant(K_(eq)). | Asadollah FARHADI Mohammad Ali TAKASSI | 2011 | Frontiers of Chemistry in China2011，6，2： | 0 |
| 5 | Investigation of the interaction of ethyl acetoacetate with nano alumina particle as Lewis acid in acetonitrile solvent显示文摘The enol form of ethyl acetoacetate(EAA)displays interesting spectroscopic characteristics;this form of ethyl acetylacetate is very important in condensation reaction.In this investigation,we have studied the interactions and the complex formation constants(K_(f))with nano alumina(10–20 nm)particle and alumina(mesh 135)compounds as Lewis acids in the acetonitrile solvent using absorption spectroscopy and related calculations.Furthermore,in this study we calculated the thermodynamic parameters of this reaction.The trend of reactivity of the ethyl acetoacetate(EAA)complexes toward the above Lewis acids,based on the solvent as follows:nano alumina compound>alumina compound. | Asadollah FARHADI Mohammad Ali TAKASSI Mandana DAYER | 2011 | Frontiers of Chemistry in China2011，6，3： | 0 |
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