带钢热轧过程中相变动力学的模拟

以相变动力学为基础,研究了奥氏体向铁素体、珠光体和贝氏体转变的温度和相变体积分数的计算方法.与普遍采用的计算相变行为的方法相比较,用此方法得到的计算机模拟结果与实验结果吻合得更好.     

羟基磷灰石作为催化材料的研究进展

羟基磷灰石(HAP)由于具有无毒性、生物相容性、热稳定性、吸附性、离子交换性、结构稳定性等,因而被广泛应用到催化剂的制备中.作为一种新型催化材料,HAP的特殊晶体结构对一些反应表现出催化活性,并且经过改性、负载等方法处理过后的HAP催化剂显示出独特的催化优势.基于近年来HAP在催化邻域的发展,综述了HAP作为催化材料在...     

PET/PE原位微纤化共混物的非等温结晶

通过挤出、热拉伸及淬冷制备了聚对苯二甲酸乙二醇酯(PET)/聚乙烯(PE)原位微纤化共混物。采用差示扫描量热仪(DSC)研究了PET/PE原位微纤化共混物的非等这结晶特性,为了比较,同时考察了纯PE和PET/PE通常共混物的结晶特性。结果表明,PET微纤对PE有良好结晶异相成核作用,可提高结晶温度、缩短结晶时间、增大结晶速率,但使PE的结晶度和熔点降低;增加降温速率,结晶峰变宽且向低温方向移动。     

二甲基丙烯酸酯原子转移自由基聚合行为和交联结构

通过差示扫描量热法研究了二甲基丙烯酸酯原子转移自由基(ATRP)交联聚合的反应动力学,用平衡溶胀法跟踪了交联结构的形成和发展。结果表明,二甲基丙烯酸酯ATRP的聚合速率比通常自由基聚合慢得多,不出现明显的自加速效应,交联网络结构更疏松。单体双键之间的链段长度对其ATRP交联聚合行为和交联结构有较大影响,随链段长度增加,聚合反应速率放慢,双键的转化率下降,交联网络结构更加均匀和疏松。     

KOH/甲醇溶液中Pb电极上电化学还原CO2

化学转化CO2为更有价值的物质对于缓解大气中的温室气体极为重要.以Pb片为工作电极,石墨电极为对电极,银-氯化银电极为参比电极,研究了0.1 mol(L(1 KOH/甲醇电解液中电化学还原CO2的行为.结果表明,在所考察的范围内,常压下CO和甲酸生成的法拉第效率在258 K时最大,分别为9.62%和78.74%,常温加压条件下,CO2压力为1.2 MPa时CO和甲酸生成的法拉第效率最大,分别为13.93%和24.00%.进一步进行电极反应的动力学研究,得CO2电化学还原生成CO和甲酸的反应级数分别为0.573和0.671.     

含硅聚氨酯的制备及其动力学研究

以3-氨基丙基三乙氧基硅烷(KH550)、丙烯酸羟乙酯(HEA)、2,4-甲苯二异氰酸酯、对甲酚为原料,制备含硅聚氨酯.用红外光谱对反应合成过程进行跟踪测定,发现端-NCO的聚氨酯预聚物和对甲基苯酚的封端反应在无催化剂条件下为二级反应,当加入催化剂三乙胺后该反应在发生初期为一级反应.无催化剂条件下该反应的活化能为46....     

Evaluation of the Impact of Esterases and Lipases from the Circulatory System against Substrates of Different Lipophilicity

Esterases and lipases can process amphiphilic esters used as drugs and prodrugs and impact their pharmacokinetics and biodistribution. These hydrolases can also process ester components of drug delivery systems (DDSs), thus triggering DDSs destabilization with premature cargo release. In this study we tested and optimized assays that allowed us to quantify and compare individual esterase contributions to the degradation of substrates of increased lipophilicity and to establish limitations in terms of substrates that can be processed by a specific esterase/lipase. We have studied the impact of carbonic anhydrase; phospholipases A1, A2, C and D; lipoprotein lipase; and standard lipase on the hydrolysis of 4-nitrophenyl acetate, 4-nitrophenyl palmitate, DGGR and POPC liposomes, drawing structure–property relationships. We found that the enzymatic activity of these proteins was highly dependent on the lipophilicity of the substrate used to assess them, as expected. The activity observed for classical esterases was diminished when lipophilicity of the substrate increased, while activity observed for lipases generally increased, following the interfacial activation model, and was highly dependent on the type of lipase and its structure. The assays developed allowed us to determine the most sensitive methods for quantifying enzymatic activity against substrates of particular types and lipophilicity.     

Catalytic Sulfation of Betulin with Sulfamic Acid: Experiment and DFT Calculation

Betulin is an important triterpenoid substance isolated from birch bark, which, together with its sulfates, exhibits important bioactive properties. We report on a newly developed method of betulin sulfation with sulfamic acid in pyridine in the presence of an Amberlyst^®15 solid acid catalyst. It has been shown that this catalyst remains stable when being repeatedly (up to four cycles) used and ensures obtaining of sulfated betulin with a sulfur content of ~10%. The introduction of the sulfate group into the betulin molecule has been proven by Fourier-transform infrared, ultraviolet-visible, and nuclear magnetic resonance spectroscopy. The Fourier-transform infrared (FTIR) spectra contain absorption bands at 1249 and 835–841 cm⁻¹; in the UV spectra, the peak intensity decreases; and, in the nuclear magnetic resonance (NMR) spectra, of betulin disulfate, carbons С3 and С28 are completely shifted to the weak-field region (to 88.21 and 67.32 ppm, respectively) with respect to betulin. Using the potentiometric titration method, the product of acidity constants K₁ and K₂ of a solution of the betulin disulfate H⁺ form has been found to be 3.86 × 10^–6 ± 0.004. It has been demonstrated by the thermal analysis that betulin and the betulin disulfate sodium salt are stable at temperatures of up to 240 and 220 °C, respectively. The density functional theory method has been used to obtain data on the most stable conformations, molecular electrostatic potential, frontier molecular orbitals, and mulliken atomic charges of betulin and betulin disulfate and to calculate the spectral characteristics of initial and sulfated betulin, which agree well with the experimental data.     

Pb-TKX-50燃烧催化剂的合成及热分解性能

以二氯乙二肟、二甲基甲酰胺、叠氮化钠、盐酸羟胺和硝酸铅等为原料,合成了1,1-二羟基-5,5′-联四唑羟胺铅盐(Pb-TKX-50)燃烧催化剂,研究了Pb-TKX-50对推进剂机械感度的影响以及与推进剂组分的相容性;利用差示扫描量热法和热重法研究了Pb-TKX-50在不同升温速率下的热分解过程,计算其表观活化能(E K和E O)和指前因子(A K),得到其热分解动力学参数、热分解机理函数、热爆炸温度和热力学性质。结果表明,在推进剂配方中加入Pb-TKX-50燃烧催化剂,可以改善其撞击感度和摩擦感度,且与推进剂组分的相容性良好;Pb-TKX-50的主峰分解温度相对于TKX-50的主峰分解温度显著提高,说明其热稳定性显著提高。Ozawa法和Kissinger法得到Pb-TKX-50的表观活化能分别为181.45 kJ/mol和182.49 kJ/mol,且热分解过程符合Avrami-Erofeev方程;Pb-TKX-50的自加速分解温度和爆炸临界温度分别为500.53 K和544.33 K,表明其热稳定性良好;Pb-TKX-50催化剂的热分解自由能(ΔG^≠)为158.87 kJ/mol,活化焓(ΔH^≠)为187.03 kJ/mol,活化熵(ΔS≠)为52.98 kJ/mol。     

绿色合成分子筛的研究进展

分子筛由于具有规则的孔道结构、适宜的酸性、良好的热和水热稳定性等特点,广泛应用于吸附、分离、离子交换及催化等领域。传统水热法制备分子筛因需要使用大量溶剂和有机模板剂,存在合成效率低、生产成本高、污染环境等一系列问题。近年来,随着"绿色化学"理念的深入人心,开发绿色、可持续的分子筛制备路线备受关注,逐渐成为该领域的研究热点。本文主要从水热法、离子热法、干胶法以及无溶剂法等几个方面,对国内外分子筛绿色合成的最新研究进展进行综述,并归纳比较上述合成方法的优缺点。最后,提出目前绿色合成分子筛过程中存在的问题,展望其未来发展前景。