医药行业使用有机单元反应的分析

对医药系列产品传统合成和生产中所使用的各种有机单元反应的频率百分数进行了分析。介绍了几种常用的有机单元反应，如烷基化、酰基化、缩合反应，卤化反应，还原反应等，同时对“分子设计”和“组合化学”进行了探讨。     

硝酸铈铵绿色化学工艺与传统工艺的对比

从原子经济性出发,对以碳酸铈为原料合成硝酸铈铵的绿色化学工艺与传统工艺进行了对比.与传统工艺相比,绿色化学工艺的原子利用率提高30.01个百分点,原子效率因子提高24.44个百分点.     

An economic and sensitive method for extracting chromium speciation in airborne inhalable dust,using a green sample treatment coupled with electrothermal atomic absorption

ABSTRACT

A new approach of cloud point extraction CPE procedure is optimized for hexavalent chromium determination in airborne dusts. Triton X-114 is used as a surfactant and 1-(2-pyridylazo)-2-naphthol as a specific complexing agent for the trivalent chromium’s removal from the aqueous phase to isolate hexavalent chromium compounds. The parameters influencing the extraction protocol (pH, surfactant concentration, and temperature are optimized. The obtained detection and quantification limits are 0.1 and 0.4 μg/L, respectively. The linearity is verified, with a regression coefficient close to 0.999 and the extraction recovery exceeds 99%. The method was successfully applied to analyze airborne samples collected from workplaces.     

Correlation of reactivity and electrical resistivity of coke

A correlation between the reactivity and electrical resistivity of a series of cokes was determined using cokes prepared from blends of medium- and high-volatile coals. After correcting for the ash yield of the coke and the density of the resistivity specimen, a statistically significant relation between reactivity and resistivity was established. As the resistivity test requires much less time to perform than the reactivity test, it can be considered as an alternative approach to reactivity testing currently performed for quality control purposes.     

煤焦小型氮肥厂采用离心压缩机联产4万吨/年低压甲醇设计

小氮肥厂采用离心压缩机对合成氨进行技术改造,联产4万吨/年低压法经济型甲醇,是煤化工C_1化学产品的发展方向。     

表面原位化学组合改性Al（OH）3／PVC复合材料的制备与性能

基于Al(OH)_3粉体与PVC基体的界面设计和调控,采用表面原位化学组合改性方法,在Al(OH)_3表面依次化学键合烷基酚醛树脂、丁腈橡胶等几种大分子改性剂,形成极性逐渐过渡的梯度界面层。当改性Al(OH)_3在PVC复合材料中的用量为80份时,材料的缺口冲击强度达到最大值,分别为添加等量偶联剂改性Al(OH)_3、未改性Al (OH)_3复合材料的2．5和2．7倍,是基体树脂的1．5倍,获得了具有高阻燃消烟性能,同时改善了力学和加工性能的综合性能良好的高填充复合材料。通过扫描电镜分析表明,Al(OH)_3粒子经过表面原位化学组合方法处理,在PVC中分散均匀,与塑料基体结合良好,并形成了以Al(OH)_3粒子为核、以多层大分子改性剂为壳的软壳硬核结构。     

Internet上化学化工资源

详细介绍了Internet上的化学化工资源及域名地址。     

Structure, phase transition and electric properties of poly(vinylidene fluoride-trifluoroethylene) copolymer studied with density functional theory

The geometry, energy, internal rotation, vibrational spectra, dipole moments and molecular polarizabilities of poly(vinylidene fluoride-trifluoroethylene) (P(VDF-TrFE)) of α- and β-chain models were studied with density functional theory at B3PW91/6-31G(d) level and compared with those of the poly(vinylidene fluoride) (PVDF) homopolymer. The chain length and the trifluoroethylene (TrFE) concentration were examined to discuss the copolymer chain stabilities, chain conformations and electric properties. The asymmetrical internal-rotation potential energy curve shows that the angles for the g and g′ conformations in the α-chain (tg and tg′) models are 53° and −70°, respectively, and the β-chain (ttt) conformation is a slightly distorted all-trans plane with dihedral angle at 177°. The energy differences, E_β − E_α(g) and E_β − E_α(g′), between the β- and the α-conformation are 2.1 and 7.8 kJ/mol, respectively. These values are smaller than that in PVDF (8.4 kJ/mol), suggesting that the β-conformation in the copolymer will be more stable than in PVDF. The energy barriers for β → α(g) and β → α(g′) transitions are 16.2 and 5.8 kJ/mol, respectively. The former is almost twice of the energy barrier in PVDF by 8.2 kJ/mol and the latter is slightly smaller (by 2.4 kJ/mol) than that in PVDF. The respective energy barriers for α(g) → β and α(g′) → β transitions are 18.3 and 13.6 kJ/mol compared with the value 16.3 kJ/mol in PVDF. The asymmetrical energy barriers may be one of the reasons for the copolymers with 0.5-0.6 (mole fraction) VDF exhibiting complicated phase transition behavior. The conformation of α-chain P(VDF-TrFE) exhibits from a helical (containing higher TrFE) to a nearly beeline (containing lower TrFE). This behavior is different from that in the PVDF and the nearly beeline conformation might be responsible for the increasing crystallizability. The helical might also be associated with the complicated phase transition behavior and the larger lattice strain in the P(VDF-TrFE)s with higher TrFE concentration. The energy difference per monomer unit between the β- and α-chain decreases with increasing TrFE content. The ideal β-chain is curved with a radius of about 30 Å, which is similar to that in PVDF. The chain curvature and the TrFE content will affect the dipole moment contribution per monomer. The chain length and TrFE content will not significantly affect the mean polarizability. The calculations indicated that there are some additional characteristic vibrational modes that may be used in identification of the α- or β-phase P(VDF-TrFE)s with different TrFE contents.     

Thermolysis of the polyyne C8H2 in hexane and methanol: Experimental and theoretical study

The mean lifetimes of polyyne C₈H₂ in hexane were determined at 50, 60, 80, and 100 °C and in methanol at 60 °C. The reactions are second order at all temperatures: ln k₂ = 20.5 ± 1.5-10303 ± 520T⁻¹ and the corresponding activation energy is 85.7 ± 6.3 kJ mol⁻¹ (7164 cm⁻¹). Extrapolation suggests that solutions at 1 mM concentration are significantly unstable at room temperature. Quantum chemical calculations show that polyynes C_mH₂ + C_nH₂ (m + n = 16) could be products, but these were not detected. Alternatively, C₁₆H₂ isomers could form. IR spectra of the solid residues from hexane and methanol solutions were obtained.     

溴碘化银核壳乳剂中电子的捕获和复合

本文应用双注仪制备了在核表面进行不同程度还原增感和一系列溴碘化银核壳乳剂，在没条件下测定了核表面形成的不同还原增感中心对乳剂微晶光电子衰减动力学及发光光谱的影响。结果表明：在一定增感温度和时间条件下，当Ｎａ２ＳＯ３用量低于５．４ｍｇ／ｍｏｌＡｇ时光电子衰减动力学为二级反应，而当Ｎａ２ＳＯ３用量超过２７ｍｇ／ｍｏｌＡｇ时，增感中心一部分作为穴陷阱，另一部分作为电子陷阱，光电子衰减速率决定了电子的捕获