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双语推荐:硝基苯胂酸

采用密度泛函理论中的B3LYP方法,通过计算机模拟,研究了4-硝基苯胂酸合成反应中各物质的结构。在此基础上对反应热力学进行了模拟计算,通过计算,优化了反应物与产物的几何构型与电子分布,并得到了4-硝基苯胂酸合成反应的主副反应焓变、Gibbs自由能变以及反应平衡常数。模拟计算结果表明,主反应的焓变为-15.0 kJ·mol-1,为放热反应,副反应的焓变为10.0 kJ·mol-1,为吸热反应,主反应的标准Gibbs自由能变为39.7 kJ·mol-1,而副反应的Gibbs自由能为45.2 kJ·mol-1,该反应为不可逆反应。4-硝基苯胂酸合成反应的热力学性质的计算为反应工艺条件的控制和热力学研究提供了理论指导。
The structures of the reactants and products of synthesis of 4-nitrophenylarsonic acid were studied by using the B3LYP method of density functional theory. Then the structures were optimized by computational analysis. The changes in reaction enthalpy, Gibbs free energy and equilibrium constant for the primary and side reaction were calculated and analyzed with the basic thermodynamic data obtained from vibration frequency analysis. The simulation results show that the primary reaction process is exothermic and irreversible, the enthalpy change is -15.0 kJ·mol-1, the Gibbs free energy change is 39.7 kJ·mol-1. The side reaction process is endothermic and irreversible, the enthalpy change is 10.0 kJ·mol-1, the Gibbs free energy change is 45.2 kJ·mol-1. The computational studies on thermodynamics of 4-nitrophenylarsonic acid synthesis can provide the theoretical guidance to the reaction process condition control.

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建立了GC-ECD法测定水源水、饮用水中硝基苯、硝基氯苯(邻硝基氯苯、间硝基氯苯、对硝基氯苯)、二硝基苯(邻二硝基苯、间二硝基苯、对二硝基苯)、2,4-二硝基甲苯、2,4-二硝基氯苯、2,4,6-三硝基甲苯的分析方法。方法检出限为0.006μg·L-1~0.05μg·L-1,平均回收率为83.1%~113.9%,相对标准偏差小于10%。应用该方法对南方地区某河流中的硝基苯类化合物含量进行调查,仅间硝基氯苯、对硝基氯苯、邻二硝基苯、2,4-二硝基氯苯检出,且浓度为ng·L-1,表明该河流水质未受到硝基苯类化合物的污染。
The detection limits of ten nitrobenzene compounds are between 0 .006μg · L -1 and 0 .05μg · L -1 .The average recovery rate is from 83 .1 % to 113 .9% .The RSD is less than 10% .The method was used to determine the nitrobenzene compounds in water samples from some river of south of China , only 3-nitrochlorobenzene ,4-nitrochlorobenzene ,1 ,2-dinitribenzene and 2 ,4-dinitrochlorobenzene were detected ,the concentrations was ng · L -1 ,respectively .The results showed that the pollution state of ni-trobenzene compounds in the area was not serious .

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研究了不同地下水化学成分(pH值、Ca2+、Fe2+、Cl-、SO42-)对VOMNI降解硝基苯(NB)的影响.结果表明,经乳化油改性后,纳米铁团聚现象得到改善,分散性提高;VOMNI对硝基苯的还原过程符合一级反应动力学方程,反应速率常数为0.0783min-1;性条件下更有利于硝基苯的降解和苯胺的生成;钙硬度对VOMNI还原硝基苯有抑制作用;Fe2+、SO42-、Cl-对硝基苯的降解和苯胺的生成有一定的促进作用.
A series of batch experiments were conducted to study the influencing factors for nitrobenzene degradation by vegetable oil modified nano-iron (VOMNI), the factors included pH、Ca2+、Fe2+、Cl-、SO42-. The results indicated that: VOMNI was well-dispersed and could stay more stable in water compared with NZVI; the reduction of nitrobenzene by VOMNI was well fitted to pseudo-first-order kinetic model, and its observed rate constant kobs was 0.0783min-1; acidic conditions were favorable to the degradation of nitrobenzene and the formation of aniline; nitrobenzene reduction was inhibited by Ca2+; Fe2+, SO42- and Cl- could promote the nitrobenzene reduction and anline formation.

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对洪泽湖水质、底泥及水生生物样品10种硝基苯类化合物的浓度进行了测定,水样中总硝基苯类化合物的含量在0.179~5.17μg/L,北部湖区和南部湖区的总硝基苯类化合物的浓度较高,其中成河北(S7)的浓度最高。底泥中的含量在0.137~4.50μg/kg,北部湖区及出湖口附近形成一个硝基苯类化合物的污染带,其中成河东(S6)的浓度最高。水生生物体内的总硝基苯含量按鲫鱼、白鱼、泥鳅、龙虾、河蚌、螺蛳依次升高。
The concentration of 10 kinds of nitrobenzene compounds in samples of water, sediment and aquatic biological from 9 point of Hongze lake were measured. The results show that: the total content of nitrobenzene compounds (ΣNBs ) in water samples is from 0. 179 to 5. 17μg/L, the concentration of total nitrobenzene compound in northern and southern Lake District are higher, and the highest concentration is Chenghebei ( S7 ) . The total concentration of total nitrobenzene compound in sediment is 0. 137-4. 50 μg/kg, the concentration of northern Lake area and nearby the lake outlet are much higher, the highest point is Chenghedong ( S6 ) . Total content of nitrobenzene in aquatic organisms of carp, whitefish, catfish, lobster, mussel, snail increased successively.

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以聚苯乙烯-二乙烯苯阴离子树脂固载聚乙二醇400作为三相相转移催化剂(PS-C5)催化邻氯硝基苯(ONCB)甲氧基化合成邻硝基苯甲醚(ONA)。考察了甲醇、氢氧化钠及催化剂用量、反应温度等工艺条件对反应的影响。实验结果表明,在邻氯硝基苯为0.1 mol,甲醇为0.6 mol,30 g质量分数40%的NaOH,4 g催化剂PS-C5,反应温度70℃,反应时间10 h的适宜条件下,邻氯硝基苯转化率大于99.5%,邻硝基苯甲醚收率达到93.4%。催化剂回收简单并可以重复使用六次以上,催化性能无明显下降。
The triphase transfer catalyst PS-C5 was synthesized by polystyrene-o-divinylbenzene anion resin supported polyethylene glyol(PEG-400) and used to catalyze the o-nitroanisole (ONA) synthesis process from o-nitrochlorobenzene (ONCB). The influence of process conditions such as methanol amount, sodium hydroxide amount, catalyst dosage and reaction temperature on ONCB conversion were investigated. Under the better reaction conditions, such as ONCB 0.1mol, CH3OH 0.6mol, 40%NaOH 30 g, PS-C5 4 g, reaction temperature 70 ℃ and reaction time 10 h, the ONCB conversion reached 99.5%and the yield of ONA was 93.4%. The catalyst can be recovered easily and its catalytic performance is not decreased evidently for 6th used.

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为研究臭氧高级氧化技术对含硝基苯类化合物炸药废水的处理效果,采用四种不同组合工艺(旋转填料床( RPB)-O3/H2 O2、RPB-O3、曝气反应装置(BR)-O3/H2 O2和 BR-O3),进行了模拟废水中硝基苯类化合物降解的对比性试验。结果表明,O3/H2 O2工艺对硝基苯类化合物表现出较强的降解性能,去除率可达99%,出水指标达到《污水综合排放标准》( GB8978-1996)中硝基苯类化合物排放标准。在相同反应时间下,BR-O3/H2 O2和 BR-O3工艺对硝基苯类化合物去除率明显偏低。在 RPB-O3/H 2 O2和RPB-O3工艺中,硝基苯类化合物去除率随超重力因子和初始 pH 值的增加而增大,而随双氧水浓度和液体流量的增加呈先增大后降低的变化趋势。在臭氧浓度为50 mg·L-1,超重力因子为80,初始 pH 为10.5,双氧水浓度4.9 mmol·L -1和液体流量120 L·h -1的试验条件下,硝基苯类化合物去除效果较好。此条件下硝基苯类化合物的降解过程符合假一级反应动力学。
To study the treatment effect of wastewater containing nitrobenzene explosives with advanced oxidation technologies of ozone,the comparative experimental study on the degradation of nitrobenzene compounds in simulated waste water was carried out by four different combined processes[RPB(rotating packed bed)-O3 /H2 O2 ,RPB-O3 ,BR(bubbling reactor)-O3 /H2 O2 and BR-O3 ]. Results show that the RPB-O3 /H2 O2 process shows a strong oxidation capacity to nitrobenzene compounds,the removal rate of nitrobenzene compounds can reach 99% ,and wate indicators can meet the discharge standard of nitrobenzene compounds in integrated waste water discharge standard GB8978-1996. Under the same reaction time,the BR-O3 /H2 O2 and BR-O3 processes show low oxidation capacity to nitrobenzene compounds. In the RPB-O 3 /H2 O2 and RPB-O3 processes,the removal rates of the ni-trobenzene compounds enhance with increasing of the high gravity factor and initial pH value. With increasing the H 2 O2 concen-t

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将丙酮与对硝基苯甲酰肼的混合物于油浴中加热回流,制得丙酮硝基苯甲酰腙化合物。在室温条件下,以自制的丙酮硝基苯甲酰腙化合物为配体,在乙醇-丙酮混合溶液中与稀土金属钆(Ⅲ)自组装,得到了一种丙酮硝基苯甲酰腙稀土配合物。通过红外光谱、热重分析对配合物的结构与性质进行了表征和研究,热分析结果表明其具有良好的热稳定性。
A mixture of pyruvate and p-nitrobenzoyl hydrazine was heated to reflux in an oil bath to generate a pyruvate p-nitrobenzoyl hydrazone. At room temperature, the self-assemblies of pyruvate p-nitrobenzoyl hydrazone ligand with Gd (Ⅲ) produced a pyruvate p-nitrobenzoyl hydrazone rare earth complex. It has been synthesized in ethanol-acetone mixture and characterized by Fourier-trans-form infrared spectroscopy and thermogravimetric analysis. Thermogravimetric analysis showed that it has good thermal stability.

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通过静态试验研究了重碳盐浓度在0,100,300,500,800mg/L时对零价铁还原硝基苯的影响,检测反应过程中硝基苯和苯胺的浓度变化,同时检测溶液中pH值、Eh、Fe2+、CO32-的变化,结果表明,重碳盐浓度较低(100~500mg/L)时对零价铁还原硝基苯有促进作用,且促进作用随着重碳盐浓度的升高而增强.重碳盐浓度为500mg/L的反应体系中硝基苯去除率及苯胺生成率最高分别为88%,173mg/L,且在该体系中重碳盐对pH值的缓冲能力最强、Eh下降幅度最大,Fe2+浓度最高.重碳盐浓度为800mg/L的体系不利于硝基苯的还原.
Batch experiments were designed to investigate the influence of different concentrations (0, 100, 300, 500 and 800mg/L) of bicarbonate on nitrobenzene degradation by zero valent iron in subsurface environment. The concentrations of nitrobenzene and aniline were monitored at interval time during the reaction progress, and the variations of pH, Eh, Fe2+, CO32- during the reaction were examined. The results indicated that bicarbonate can enhance the zero-valent iron activity at lower concentration (100~500 mg/L), and as the increasing of bicarbonate concentration, the promoting effect increases. in 500 mg/L system, the highest nitrobenzene reduction was 88% and aniline formation was 173 mg/L, the buffering capacity for pH was the strongest, the decline range of Eh was the largest, and the concentration of Fe2+was the highest. The system of bicarbonate concentration of 800 mg/L was not conducive to the reduction of nitrobenzene.

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采用液液萃取-气相色谱法测定饮用水中10种硝基苯类化合物,通过萃取条件优化试验,选择正己烷为萃取剂,使目标物在0μg/L~38.5μg/L之间线性良好,检出限为0.002μg/L ~0.005μg/L。实际饮用水样的加标回收率为80.8%~104%,RSD<3%。用该方法测定桂林市4个水厂饮用水,结果硝基苯、间-二硝基苯、2,4-二硝基氯苯未检出,其余7种硝基苯类化合物虽有检出,但检出值均低于标准规定的限值。
A liquid-liquid extraction gas-chromatography method by different solvents for determination of nitrobenzene-compounds in drinking water was established.The determination of extraction by n-hexane extrac-tion of samples detection limit,precision and the recovery rate is superior to the other three solvents,nitroben-zene-compounds spiked recovery rates come to be 80.8%~104%,the relative standard deviations(RSD)were less than 3%,the method determination limits were 0.002 μg/L~0.005 μg/L.This method can meet the test requirements.Drinking water samples from 4 water factories in Guilin were analyzed by optimized test method. The results indicates that,nitrobenzene,1,3-dinitrobenzene and 1-chloro-2,4-dinitrobenzene were not detected, other 7 nitrobenzene-compounds were detected,but the concentrations were all less than environmental quality standards for surface water and standards for drinking water quality in the provides of limited value.

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研究了以石墨电极作阳极、不锈钢丝刷为阴极、Na2SO4为电解质,采用不同电解电压(20 V、5 V)对模拟硝基苯(NB)废水进行电解.测量了不同电解时间溶液的紫外光谱,结果表明:20 V电压时,硝基苯被还原为苯胺(AN);而5 V电压时,产物除苯胺外,可能还有马来、对氨基苯酚、对苯二酚等.对20 V电解电压的体系,采用双波长等吸收消除干扰法求解出不同电解时间混合体系中硝基苯和苯胺各自的含量;而对5 V的电解体系,采用萘乙二胺偶氮光度法来测定电解处理后废水中苯胺和硝基苯的含量.结果显示,随着电解电压的下降,除产物成分变化外,硝基苯转化率、最大转化率需要的时间也发生变化.
This paper investigates the reduction of nitrobenzene wastewater by electrolysis using graphite as an-ode, stainless steel brush as cathode, and Na2SO4 as electrolyte. The electrolytic voltage is set at 20 V and 5 V, respectively. The UV spectra of the result solution show that, when the voltage is 20 V, nitrobenzene is reduced to aniline, whereas when the voltage is 5 V, the products may have maleic acid, p-aminophenol and hydroqui-none. The concentration of nitrobenzene and aniline in the 20 V-electrolytic system is resolved from the UV spectra using dual-wavelength equal-absorbance UV method. However, the concentration in the 5 V-electrolytic system is determined by spectrophotometry with N-(1-Naphthyl)-ethylenediamine. It is shown that the conver-sion rate of nitrobenzene and the time needed for achieving the highest conversion rate, as well as the product, change with the decreasing of the electrolytic voltage.