纳米MnFe2O4的制备及其对高氯酸铵热分解的催化性能（英文）

Nano-MnFe2O4 particles were synthesized by co-precipitation phase inversion method and low-temperature combustion method respectively, using MnCl2, FeCl3, Mn(NO3)2, Fe(NO3)3, NaOH and C6H8O7. X-ray diffraction (XRD), transmission electron microscope (TEM), Fourier transform infrared spectroscopy (FT-IR), thermogravim-etry-differential thermal analysis (TG-DTA) and differential scanning calorimetry (DSC) were used to characterize the structure, morphology, thermal stability of MnFe2O4 and its catalytic performance to ammonium perchlorate. Results showed that single-phased and uniform spinel MnFe2O4 was obtained. The average particle size was about 30 and 20 nm. The infrared absorption peaks appeared at about 420 and 574 cm-1, and the particles were stable below 524 ℃. Using the two prepared catalysts, the higher thermal decomposition temperature of ammonium perchlorate was decreased by 77.3 and 84.9 ℃ respectively, while the apparent decomposition heat was increased by 482.5 and 574.3 J?g?1. The catalytic mechanism could be explained by the favorable electron transfer space provided by outer d orbit of transition metal ions and the high specific surface absorption effect of MnFe2O4 particles.     

Molecular Dynamic Simulation for HMX/NTO Supramolecular Explosive

Based on the crystal engineering, six models of octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine(HMX)/3-nitro-1,2,4-triazol-5-one(NTO) supramolecular explosive were designed. The probable formation of HMX/NTO supramolecular explosive was investigated by the molecular dynamic (MD) method. Interaction between oxygen atoms in HMX and hydrogen atoms in NTO or between hydrogen atoms in HMX and oxygen atoms in NTO were studied by the radial distribution function (RDF). It shows that there are strong hydrogen bonds and Van Der Waals forces between HMX and NTO, in which the hydrogen bonds between oxygen atoms in the NTO and hydrogen atoms in HMX are the main host-guest interactions. The distributions of bond length, bond angle and dihedral angle were simulated by MD. It shows that the structure of HMX is seriously distorted. The binding energies and X-ray powder diffraction (XRD) patterns were calculated on the basis of the final HMX/NTO supramolecular structures. The results show that the binding energies of six supramolecular models are E binding (1 1 1-) >E binding (1 0 0)>E binding (0 2 0)>E binding (random)>E binding (1 0 2-)>Ebinding (0 1 1), and the XRD patterns of six supramolecular models are quite different from pure HMX or NTO. Based on the investigation for growth morphology, binding energies and RDF, the model of HMX supercell substituted by NTO along the (1 1 1-) surface of HMX is easier to form.     

烷基环戊酮的Baeyer-Villiger清洁氧化反应

以H2O2为氧化剂,对2-戊基环戊酮进行Baeyer-Villiger清洁氧化,通过对反应条件的研究,得出最佳反应条件为n(H2O)∶n(2-戊基环戊酮)=4∶1,反应温度为50 ℃,溶剂甲醇用量为50 mL.该方法可以减少污染,具有工业应用清洁性.     

改性皂土催化下甲苯的浓硝酸硝化(Ⅶ)

在皂土硝酸盐催化下，甲苯能被浓硝酸对位选择性硝化，对邻硝化产物比率达１．０以上。     

与时俱进走清洁生产之路

对济钢清洁生产所做的工作及思路进行了较为全面的阐述，提出清洁生产不仅关系到企业的经济效益，而且直接关系到企业的形象和生存。     

间硝基苯甲酸的合成与纯化研究

以苯甲酸为原料,通过浓硫酸和硝酸硝化制备间硝基苯甲酸,并对合成条件和纯化条件进行了研究.结果表明,最优的工艺条件为:浓硫酸与苯甲酸的摩尔比为4∶1,硝酸与苯甲酸的摩尔比为3∶1,反应温度为85℃,反应时间为4h,此条件下的收率为82.3％,纯度为91.3％.研究了采用酸碱反调法纯化间硝基苯甲酸的方法,可以使间硝基苯甲酸纯度达到98％以上.     

改性高岭土上甲苯的选择性硝化

在 Menke条件下 ,应用改性高岭土固体酸催化剂 ,甲苯能被浓硝酸对位选择性硝化 ,对、邻硝化产物比例为 1 .3 ,较硝硫混酸的 0 .6显著提高。     

改性皂土上甲苯的选择性硝化(Ⅲ)

应用Ｍｅｎｋｅ条件，在改性皂土固体酸催化下，甲苯能被浓硝酸对位选择性消化，表面在对邻硝化产物比例达到１．５６．     

Menke条件下甲苯的固体酸催化选择性硝化

在Ｍｅｎｋｅ条件下，固体酸能对硝酸盐硝化甲苯的位置选择性产生影响，在所选的几种固体酸中皂土和高岭土是较好的对位选择性硝化催化剂，能使硝化产物的对邻比率达１．１～１．５。     

2-氨基-4-甲基苯并噻唑的合成

研究了２－氨基－４－甲基苯并噻唑的合成工艺参数，得到了较佳的工艺条件，放大试验结果证明了该合成条件的可靠性。