A novel strain of Streptomyces sp.DUT_AHX was isolated from sludge contaminated with nitrobenzene and identified on the basis of physiological and biochemical tests and 16S ribosomal DNA (rDNA) sequence analysis.The o...A novel strain of Streptomyces sp.DUT_AHX was isolated from sludge contaminated with nitrobenzene and identified on the basis of physiological and biochemical tests and 16S ribosomal DNA (rDNA) sequence analysis.The optimal degradation conditions were as follows:temperature 30℃,pH 7.0-8.0,shaking speed 150-180 r/min,and inocula 10%(V/V).The strain,which possessed a partial reductive pathway with the release of ammonia,was also able to grow on mineral salts basal (MSB) medium plates with 2-aminophenol, ph...展开更多
The IGC 50 (50% inhibitory growth concentration) values of 27 nitrobenzenes were determined for the population growth endpoint of Tetrahymena pyriformis . The toxicity order of the observed compounds was found to be a...The IGC 50 (50% inhibitory growth concentration) values of 27 nitrobenzenes were determined for the population growth endpoint of Tetrahymena pyriformis . The toxicity order of the observed compounds was found to be as follows: dinitro compounds>mononitro compounds, dichloronitrobenzenes>monochloronitrobenzenes, meta substituted nitrobenzenes>ortho /para substituted nitrobenzenes(NT, NPh, NAnis) except for the dinitrobenzenes and nitroanilines(DNB, NAn). Quantitative structure activity relationships(QSARs) were developed with the logarithm of the reciprocal of IGC 50 [lg(IGC 50 ) -1 ] in mole liter as dependent variable and six molecular descriptors lg P , 1 X Ⅴ, I, 1K a, ∑σ - and E LUMO as independent variables. Via multiple regression analysis, one best equation was obtained: lg(IGC 50 ) -1 =3.029+0.860∑ σ -+0.341I n=27, r=0.924, r 2=0.854, s=0.265, f=70.44 , Pr> f =0.000 1 The equation was used to estimate IGC 50 for five analogues.展开更多
Nitrobenzene (NB) pollution of the Songhua River caused by an explosion at a petrochemical plant in Jilin City,Jilin Province, China,attracted public concern over the fate of NB in the river.As one of the efforts to p...Nitrobenzene (NB) pollution of the Songhua River caused by an explosion at a petrochemical plant in Jilin City,Jilin Province, China,attracted public concern over the fate of NB in the river.As one of the efforts to predict the fate of residual NB in the river,the kinetics and mechanism of phototransformation of NB in natural water from four sections of the Songhua River were investigated.It was found that photodegradation of NB in water proceeded via pseudo-first-order reaction kinetics under simulated ...展开更多
Objective Nitrobenzene extraction enhanced by salting-out effect was employed to recover aniline from wastewater at 25℃.Method Batchwise experiments were conducted to elucidate the influence of various operating vari...Objective Nitrobenzene extraction enhanced by salting-out effect was employed to recover aniline from wastewater at 25℃.Method Batchwise experiments were conducted to elucidate the influence of various operating variables on the extracting performance,including acidity of wastewater,initial aniline concentration,ratios of solvent to wastewater,extraction stages,concentrations and different types of inorganic salts,such as NaC1,KC1,Na_2SO_4,CaCl_2 and K_2SO_4.Results Nitrobenzene with a concentration of 20%and a pH value of 9.1 at the temperature of 25℃together with NaCl of a concentration of 14 wt.%realized nearly 100%aniline recovery at the fifth stage of wastewater treatment.Conclusions High pH values and volume ratios of nitrobenzene/wastewater are more suitable for recovery of aniline.In addition,recovery of aniline is significantly elevated with increase of the concentration of salts,whose promoting effects are in the following order: NaCl>Na_2SO_4>K_2SO_4>CaCl_2>KCl on the weight basis of wastewater.Furthermore,aniline in wastewater can be almost completely recovered by five-stage sequential nitrobenzene extraction,which is promoted continuously by the salting-out effect.展开更多
The zero valent iron/granular active carbon(ZVI/GAC) micro-electrolysis enhanced by ultrasound(US) coupled with hydrogen peroxide(H_2O_2) was investigated for the deep degradation of nitrobenzene-containing wastewater...The zero valent iron/granular active carbon(ZVI/GAC) micro-electrolysis enhanced by ultrasound(US) coupled with hydrogen peroxide(H_2O_2) was investigated for the deep degradation of nitrobenzene-containing wastewater. The results of scanning electron microscopy-energy dispersive X-rays analysis(SEM-EDS) demonstrated that continuously accelerated regeneration of ZVI and GAC in situ by US could improve the process for converting nitrobenzene(NB) to aniline(AN). H_2O_2 was decomposed catalytically by the byproduct Fe^(2+) ions generated in the micro-electrolysis process to hydroxyl radicals and the organic pollutants in the wastewater were finally mineralized to CO2 and H2O. Effects of the ZVI dosage, the ZVI/GAC mass ratio, the initial pH value and the H_2O_2 dosage on the efficiency for degradation of NB were studied in these experiments. The optimal operating conditions covered a ZVI dosage of 15 g/L, a ZVI/GAC mass ratio of 1:2,an initial pH value of 3 and a H_2O_2 dosage of 4 mL. In this case, the NB removal efficiency reached 97.72% and the total organic carbon(TOC) removal efficiency reached 73.42% at a NB concentration of 300 mg/L. The reduction of NB by USZVI/GAC followed the pseudo-first-order kinetics model, and the pseudo-first-order rate constants were given at different initial pH values. The reaction intermediates such as AN, benzoquinonimine, p-benzoquinone, p-nitrophenol and other organic acids were detected and a probable pathway for NB degradation has been proposed.展开更多
As nitrobenzene(NB)is structurally stable and difficult to degrade due to the presence of an electron withdrawing group(nitro group).The sequential nanoscale zero valent iron-persulfate(NZVI-Na_(2)S_(2)O_(8))process w...As nitrobenzene(NB)is structurally stable and difficult to degrade due to the presence of an electron withdrawing group(nitro group).The sequential nanoscale zero valent iron-persulfate(NZVI-Na_(2)S_(2)O_(8))process was proposed in this study for the degradation NB-containing wastewater.The results showed that the NB degradation efficiency and the total organic carbon removal efficiency in the sequential NZVINa_(2)S_(2)O_(8)process were 100%and 49.25%,respectively,at a NB concentration of 200 mg L^(-1),a NZVI concentration of 0.75 g L^(-1),a Na_(2)S_(2)O_(8)concentration of 26.8 mmol L^(-1),an initial pH of 5,and a reaction time of 30 min,which were higher than those(88.53%and 35.24%,respectively)obtained in the NZVI/Na_(2)S_(2)O_(8)process.Sulfate radicals(SO_(4)·-)and hydroxyl radicals(·OH)generated in the reaction were identified directly by electron paramagnetic resonance spectroscopy and indirectly by radical capture experiments,and it was shown that both SO_(4)^(·-)and·OH played a major role in the sequential NZVI-Na_(2)S_(2)O_(8)process.The possible pathways involved in the reduction of NB to aniline(AN)and the further oxidative degradation of AN were determined by gas chromatography-mass spectrometry.展开更多
Rectangular wave current control of the electrochemical reduction of nitrobenzene im-proves the selectivity for p-aminophenol(PAP) compared to direct current(d.c.) control at thesame average current density in a flow-...Rectangular wave current control of the electrochemical reduction of nitrobenzene im-proves the selectivity for p-aminophenol(PAP) compared to direct current(d.c.) control at thesame average current density in a flow-by packed-bed reactor.Optimal increase in PAP selectivitycan be obtained at about a frequency of 50Hz and a duty cycle of 0.2.A mathematical model isset up to incorporate the effects of mass transfer,hydrogen evolution and double layer charging,and is solved using the Duhamel’s superposition principle and the modified Crank-Nicolson methodwith the upwind scheme.The conventional d.c.control cases are also calculated for comparison.Calculations can be applied to predict the reaction results under periodic current and d.c.control,but both display the same trends compared to experimental data.展开更多
Femtosecond time-resolved transient grating(TG) technique is used to study the intermolecular dynamics in liquid phase. Non-resonant excitation of the sample by two crossing laser pulses results in a transient Kerr gr...Femtosecond time-resolved transient grating(TG) technique is used to study the intermolecular dynamics in liquid phase. Non-resonant excitation of the sample by two crossing laser pulses results in a transient Kerr grating, and the molecular motion of liquid can be detected by monitoring the diffraction of a third time-delayed probe pulse. In liquid nitrobenzene(NB), three intermolecular processes are observed with lifetimes of 37.9±1.4 ps, 3.28±0.11 ps, and 0.44±0.03 ps, respectively. These relaxations are assigned to molecular orientational diffusion, dipole/induced dipole interaction, and libration in liquid cage, respectively. Such a result is slightly different from that obtained from OKE experiment in which the lifetime of the intermediate process is measured to be 1.9 ps. The effects of electric field on matter are different in TG and optical Kerr effect(OKE) experiments, which should be responsible for the difference between the results of these two types of experiments. The present work demonstrates that TG technique is a useful alternative in the study of intermolecular dynamics.展开更多
This study was conducted to investigate the effects of different mass concentrations of nitrobeneze on the growth, soluble sugar content, soluble protein content, chlorophyll a content and algal cell conductivity of N...This study was conducted to investigate the effects of different mass concentrations of nitrobeneze on the growth, soluble sugar content, soluble protein content, chlorophyll a content and algal cell conductivity of Nitzschia hantzschia. The results showed that as the concentration of nitrobenzene increased, the growth of N. hantzschia was inhibited, and the algal culture liquids gradually changed from dark yellow to light yellow after 5 d of treatment;the soluble sugar content increased after 2 d;and the soluble protein content of the 100 mg/L nitrobenzene treatment group was 89.1% of the control group on day 1, which was the lowest value, and then showed a gradual upward trend. The low-mass concentration of nitrobenzene promoted the chlorophyll a content of algal cells, the medium and high mass concentrations had an inhibitory effect, and the chlorophyll a content of the 50 mg/L treatment gradually recovered after 3 d. The electrical conductivity of algal cells gradually increased with the increase of the mass concentration of nitrobenzene. The electrical conductivity gradually recovered after 3 d of the low mass concentration treatment, while the high mass concentration harmed the algae cells, causing N. hantzschia to gradually die.展开更多
An idea on interfacial equilibrium-potential differences () which are generated for the extraction of univalent metal picrate (MPic) and divalent ones (MPic2) by crown ethers (L) into high-polar diluents was improved....An idea on interfacial equilibrium-potential differences () which are generated for the extraction of univalent metal picrate (MPic) and divalent ones (MPic2) by crown ethers (L) into high-polar diluents was improved. These potentials were clarified with some experimental extraction-data reported before on the M = Ag(I), Ca(II), Sr(II) and Ba(II) extraction with 18-crown-6 ether (18C6) and benzo-18C6 into 1,2-dichloroethane (DCE) and nitrobenzene (NB). Consequently, it was demonstrated that the? values from the extraction-experimentally obtained logKD,Pic ones are in agreement with or close to those calculated from charge balance equations in many cases, where the symbol, KD,Pic, denotes an individual distribution constant of Pic﹣ into the DCE or NB phase. Also, it was experimentally shown that extraction constants based on the overall extraction equilibria do not virtually contain the? terms in their functional expressions.展开更多
The reaction of acenaphthene with nitrobenzene was investigated in the presence of AlCl 3 . The results showed that the reaction proceeded via carboncation-electrophilic substitution reaction and free radical substitu...The reaction of acenaphthene with nitrobenzene was investigated in the presence of AlCl 3 . The results showed that the reaction proceeded via carboncation-electrophilic substitution reaction and free radical substitution reaction pathway. The products of acenaphthenyl phenylamine and biacenaphthyl could be synthesized by this reaction. The influence of the amount of AlCl 3 and the temperature on the components of products were also studied in this reaction.展开更多
The structural deformation induced by intense laser field of liquid nitrobenzene(NB) molecule,a typical molecule with restricting internal rotation,is tracked by time- and frequency-resolved coherent anti-Stokes.Raman...The structural deformation induced by intense laser field of liquid nitrobenzene(NB) molecule,a typical molecule with restricting internal rotation,is tracked by time- and frequency-resolved coherent anti-Stokes.Raman spectroscopy(CARS) technique with an intense pump laser.The CARS spectra of liquid NB show that the NO_2 torsional mode couples with the NO_2 symmetric stretching mode,and the NB molecule undergoes ultrafast structural deformation with a relaxation time of 265 fs.The frequency of NO_2 torsional mode in liquid NB(42 cm^(-1)) at room temperature is found from the sum and difference combination bands involving the NO_2 symmetric stretching mode and torsional mode in time- and frequency-resolved CARS spectra.展开更多
To better understand the formation of H2O2 in the ozonation of nitrobenzene and its role for the oxidation,a batch reactor of nitrobenzene ozonation was set up.The variables such as pH value,ozone dosage,and the prese...To better understand the formation of H2O2 in the ozonation of nitrobenzene and its role for the oxidation,a batch reactor of nitrobenzene ozonation was set up.The variables such as pH value,ozone dosage,and the presence of hydroxyl radical scavenger were investigated.The results showed that high accumulations of H2O2 were generally formed at low pH values and low ozone dosages.Moreover,H2O2 mainly formed after nitrobenzene was oxidized by hydroxyl radical during ozonation of the intermediates,such as p-nitrophenol,which reacted with ozone quickly in water.A small amount of additional H2O2 enhanced the nitrobenzene removal slightly.The kinetic study showed that nitrobenzene degradation fitted with pseudo-second-order kinetics well in the experiment.The kinetic constant values correlated linearly with the concentrations of H2O2 added.Thus,it is expected that the H2O2 formed in oxidation of nitrobenzene may initiate ozone decomposition to form hydroxyl radical and finally enhance the degradation of aromatic compounds to a certain extent.展开更多
It is experimentally found that different renction courses exist when mtrite ion reacts with nitrobenzenes with different electron withdrawing groups. when it is substituted with strong electron withdrawing groups. se...It is experimentally found that different renction courses exist when mtrite ion reacts with nitrobenzenes with different electron withdrawing groups. when it is substituted with strong electron withdrawing groups. self-condensation in aprotic polar solvent occurs to give symmnetrical disubstituted diphenyl ethers. However. when it is substituted with moderate electron withdrawing groups, no diphenyl ethers are obtained under the same conditions, instead, corresponding carboxylates are yielded. As a result. the applicability of this reaction is distinctly展开更多
A new kind of nonionic surfactant ionophore is introduced to facilitate metal ion transfer across a liquidlliquid interface. The transfer of Na+ facilitated by emulsifier OP across the water/nitrobenzene interface has...A new kind of nonionic surfactant ionophore is introduced to facilitate metal ion transfer across a liquidlliquid interface. The transfer of Na+ facilitated by emulsifier OP across the water/nitrobenzene interface has been studied by send-differential cyclic voltammetry, and a new method for the deterndnation of emu1sifier OP was established. The proposed method is simple,easy and effective.展开更多
The 1-azido-2-chloro-4-nitrobenzene was prepared by nucleophilic substitution between 2-chloro-4-nitro-1-(trifluoromethylsulfinyl)benzene and sodium azide, and its structure was characterized by NMR spectrum and X-ray...The 1-azido-2-chloro-4-nitrobenzene was prepared by nucleophilic substitution between 2-chloro-4-nitro-1-(trifluoromethylsulfinyl)benzene and sodium azide, and its structure was characterized by NMR spectrum and X-ray single-crystal diffraction. It crystallizes in the monoclinic system, space group P21/n, Z = 8 and Mr = 198.57. A cultivation process of the single crystal of unstable aryl azide was provided. The group of trifluoromethyl sulfinyl was found for the first time to be a new excellent leaving group of aromatic nucleophilic substitution reactions.展开更多
Nitrobenzene was reported to occur at relatively high concentrations in some Chinese surface water and to cause an environmental pollution event in 2005.To map the distribution of nitrobenzene in the Chinese surface w...Nitrobenzene was reported to occur at relatively high concentrations in some Chinese surface water and to cause an environmental pollution event in 2005.To map the distribution of nitrobenzene in the Chinese surface water throughout China,surface water samples were collected from over 600 sites in the 7 major watersheds and three drainage areas.The samples were analyzed for concentration of nitrobenzene.Overall,nitrobenzene was more frequently detected at higher concentrations in the rivers of North Chin...展开更多
In this study,DFT-B3LYP level of theory with the 6-311G basis set was used to calculate a set of molecular descriptors of 36 nitrobenzenes.Quantitative structure-activity relationship(QSAR) models of the toxicity(pIGC...In this study,DFT-B3LYP level of theory with the 6-311G basis set was used to calculate a set of molecular descriptors of 36 nitrobenzenes.Quantitative structure-activity relationship(QSAR) models of the toxicity(pIGC50) of 36 nitrobenzenes were established using some of the following calculated descriptors:HOMO energy(EHOMO),LUMO energy(ELUMO),the difference between LUMO and HOMO energy values(ΔE=ELUMO-EHOMO),average polarizability(P),dipole moment(μ),molecular volume(V) and the charge of nitro group(Q-NO2).The QSAR models obtained by employing stepwise multiple regression techniques are aimed at correlating the structures with their reported experimental toxicity values.Among the models presented in this study,statistically the most significant one is a two-parameter linear equation with the correlation coefficient(R2) of 0.896 and cross-validated correlation coefficient(R2CV) of 0.878.To further validate the predictive ability of the resulting model,external validation was carried out with R2ext and Q2ext values of 0.894,0.900,0.909,0.874,0.885 and 0.903,respectively.This study also reconstructed the obtained models using AM1-based calculated descriptors to demonstrate the superiority of DFT over AM1 for quantum calculations of mechanical descriptors.The results were discussed in the light of the main factors that influence the toxicity of nitrobenznenes.展开更多
More than 100 t of nitrobenzene (NB) and related compounds were discharged into the Songhua River,the fourth longest river in China,because of the world-shaking explosion of an aniline production factory located in Ji...More than 100 t of nitrobenzene (NB) and related compounds were discharged into the Songhua River,the fourth longest river in China,because of the world-shaking explosion of an aniline production factory located in Jilin City on November 13,2005.As one of the efforts to predict the fate of residual NB in the river,NB biodegradation abilities by microbes in the water and sediments from different river sections were evaluated systematically.The results indicated that microbial communities from any section ...展开更多
文摘A novel strain of Streptomyces sp.DUT_AHX was isolated from sludge contaminated with nitrobenzene and identified on the basis of physiological and biochemical tests and 16S ribosomal DNA (rDNA) sequence analysis.The optimal degradation conditions were as follows:temperature 30℃,pH 7.0-8.0,shaking speed 150-180 r/min,and inocula 10%(V/V).The strain,which possessed a partial reductive pathway with the release of ammonia,was also able to grow on mineral salts basal (MSB) medium plates with 2-aminophenol, ph...
基金Supported by the Educational Ministry Foundation of China(No. 0 10 6 3) .Tetrahymena pyriformis B was kindlysupplied by Dr.TiedkeMünster
文摘The IGC 50 (50% inhibitory growth concentration) values of 27 nitrobenzenes were determined for the population growth endpoint of Tetrahymena pyriformis . The toxicity order of the observed compounds was found to be as follows: dinitro compounds>mononitro compounds, dichloronitrobenzenes>monochloronitrobenzenes, meta substituted nitrobenzenes>ortho /para substituted nitrobenzenes(NT, NPh, NAnis) except for the dinitrobenzenes and nitroanilines(DNB, NAn). Quantitative structure activity relationships(QSARs) were developed with the logarithm of the reciprocal of IGC 50 [lg(IGC 50 ) -1 ] in mole liter as dependent variable and six molecular descriptors lg P , 1 X Ⅴ, I, 1K a, ∑σ - and E LUMO as independent variables. Via multiple regression analysis, one best equation was obtained: lg(IGC 50 ) -1 =3.029+0.860∑ σ -+0.341I n=27, r=0.924, r 2=0.854, s=0.265, f=70.44 , Pr> f =0.000 1 The equation was used to estimate IGC 50 for five analogues.
文摘Nitrobenzene (NB) pollution of the Songhua River caused by an explosion at a petrochemical plant in Jilin City,Jilin Province, China,attracted public concern over the fate of NB in the river.As one of the efforts to predict the fate of residual NB in the river,the kinetics and mechanism of phototransformation of NB in natural water from four sections of the Songhua River were investigated.It was found that photodegradation of NB in water proceeded via pseudo-first-order reaction kinetics under simulated ...
基金Supported by the Natural Science Foundation of Shandong Province(No.2006BS08014).
文摘Objective Nitrobenzene extraction enhanced by salting-out effect was employed to recover aniline from wastewater at 25℃.Method Batchwise experiments were conducted to elucidate the influence of various operating variables on the extracting performance,including acidity of wastewater,initial aniline concentration,ratios of solvent to wastewater,extraction stages,concentrations and different types of inorganic salts,such as NaC1,KC1,Na_2SO_4,CaCl_2 and K_2SO_4.Results Nitrobenzene with a concentration of 20%and a pH value of 9.1 at the temperature of 25℃together with NaCl of a concentration of 14 wt.%realized nearly 100%aniline recovery at the fifth stage of wastewater treatment.Conclusions High pH values and volume ratios of nitrobenzene/wastewater are more suitable for recovery of aniline.In addition,recovery of aniline is significantly elevated with increase of the concentration of salts,whose promoting effects are in the following order: NaCl>Na_2SO_4>K_2SO_4>CaCl_2>KCl on the weight basis of wastewater.Furthermore,aniline in wastewater can be almost completely recovered by five-stage sequential nitrobenzene extraction,which is promoted continuously by the salting-out effect.
基金supported by the Natural Science Foundation of China (U1610106)the Excellent Youth Science and Technology Foundation of Province Shanxi of China (2014021007)+1 种基金the Specialized Research Fund for Sanjin Scholars Pragram of Shanxi Prouince (201707)the North University of China Fund for Distinguished Young Scholars (201701)
文摘The zero valent iron/granular active carbon(ZVI/GAC) micro-electrolysis enhanced by ultrasound(US) coupled with hydrogen peroxide(H_2O_2) was investigated for the deep degradation of nitrobenzene-containing wastewater. The results of scanning electron microscopy-energy dispersive X-rays analysis(SEM-EDS) demonstrated that continuously accelerated regeneration of ZVI and GAC in situ by US could improve the process for converting nitrobenzene(NB) to aniline(AN). H_2O_2 was decomposed catalytically by the byproduct Fe^(2+) ions generated in the micro-electrolysis process to hydroxyl radicals and the organic pollutants in the wastewater were finally mineralized to CO2 and H2O. Effects of the ZVI dosage, the ZVI/GAC mass ratio, the initial pH value and the H_2O_2 dosage on the efficiency for degradation of NB were studied in these experiments. The optimal operating conditions covered a ZVI dosage of 15 g/L, a ZVI/GAC mass ratio of 1:2,an initial pH value of 3 and a H_2O_2 dosage of 4 mL. In this case, the NB removal efficiency reached 97.72% and the total organic carbon(TOC) removal efficiency reached 73.42% at a NB concentration of 300 mg/L. The reduction of NB by USZVI/GAC followed the pseudo-first-order kinetics model, and the pseudo-first-order rate constants were given at different initial pH values. The reaction intermediates such as AN, benzoquinonimine, p-benzoquinone, p-nitrophenol and other organic acids were detected and a probable pathway for NB degradation has been proposed.
基金supported by the Specialized Research Fund for Sanjin Scholars Program of Shanxi Province(201707)Key Research and Development Plan of Shanxi Province(201903D321059)Shanxi Scholarship Council of China(HGKY2019071)。
文摘As nitrobenzene(NB)is structurally stable and difficult to degrade due to the presence of an electron withdrawing group(nitro group).The sequential nanoscale zero valent iron-persulfate(NZVI-Na_(2)S_(2)O_(8))process was proposed in this study for the degradation NB-containing wastewater.The results showed that the NB degradation efficiency and the total organic carbon removal efficiency in the sequential NZVINa_(2)S_(2)O_(8)process were 100%and 49.25%,respectively,at a NB concentration of 200 mg L^(-1),a NZVI concentration of 0.75 g L^(-1),a Na_(2)S_(2)O_(8)concentration of 26.8 mmol L^(-1),an initial pH of 5,and a reaction time of 30 min,which were higher than those(88.53%and 35.24%,respectively)obtained in the NZVI/Na_(2)S_(2)O_(8)process.Sulfate radicals(SO_(4)·-)and hydroxyl radicals(·OH)generated in the reaction were identified directly by electron paramagnetic resonance spectroscopy and indirectly by radical capture experiments,and it was shown that both SO_(4)^(·-)and·OH played a major role in the sequential NZVI-Na_(2)S_(2)O_(8)process.The possible pathways involved in the reduction of NB to aniline(AN)and the further oxidative degradation of AN were determined by gas chromatography-mass spectrometry.
基金Supported by the State Key Laboratory of Chemical Engineering,National Nature Science Foundation of China,and China Petrochemical Corporation.
文摘Rectangular wave current control of the electrochemical reduction of nitrobenzene im-proves the selectivity for p-aminophenol(PAP) compared to direct current(d.c.) control at thesame average current density in a flow-by packed-bed reactor.Optimal increase in PAP selectivitycan be obtained at about a frequency of 50Hz and a duty cycle of 0.2.A mathematical model isset up to incorporate the effects of mass transfer,hydrogen evolution and double layer charging,and is solved using the Duhamel’s superposition principle and the modified Crank-Nicolson methodwith the upwind scheme.The conventional d.c.control cases are also calculated for comparison.Calculations can be applied to predict the reaction results under periodic current and d.c.control,but both display the same trends compared to experimental data.
基金supported by the National Natural Science Foundation of China(Grant Nos.11304058 and 11404307)NSAF(Grant No.U1330106)
文摘Femtosecond time-resolved transient grating(TG) technique is used to study the intermolecular dynamics in liquid phase. Non-resonant excitation of the sample by two crossing laser pulses results in a transient Kerr grating, and the molecular motion of liquid can be detected by monitoring the diffraction of a third time-delayed probe pulse. In liquid nitrobenzene(NB), three intermolecular processes are observed with lifetimes of 37.9±1.4 ps, 3.28±0.11 ps, and 0.44±0.03 ps, respectively. These relaxations are assigned to molecular orientational diffusion, dipole/induced dipole interaction, and libration in liquid cage, respectively. Such a result is slightly different from that obtained from OKE experiment in which the lifetime of the intermediate process is measured to be 1.9 ps. The effects of electric field on matter are different in TG and optical Kerr effect(OKE) experiments, which should be responsible for the difference between the results of these two types of experiments. The present work demonstrates that TG technique is a useful alternative in the study of intermolecular dynamics.
基金Supported by Provincial Quality Engineering Project of Colleges and Universities(2015zy068)Natural Science Research Key Project in Colleges and Universities in Anhui Province(KJ2016A459)Provincial Famous Teacher Studio of Anhui Provincial Department of Education(2016msgzs044)。
文摘This study was conducted to investigate the effects of different mass concentrations of nitrobeneze on the growth, soluble sugar content, soluble protein content, chlorophyll a content and algal cell conductivity of Nitzschia hantzschia. The results showed that as the concentration of nitrobenzene increased, the growth of N. hantzschia was inhibited, and the algal culture liquids gradually changed from dark yellow to light yellow after 5 d of treatment;the soluble sugar content increased after 2 d;and the soluble protein content of the 100 mg/L nitrobenzene treatment group was 89.1% of the control group on day 1, which was the lowest value, and then showed a gradual upward trend. The low-mass concentration of nitrobenzene promoted the chlorophyll a content of algal cells, the medium and high mass concentrations had an inhibitory effect, and the chlorophyll a content of the 50 mg/L treatment gradually recovered after 3 d. The electrical conductivity of algal cells gradually increased with the increase of the mass concentration of nitrobenzene. The electrical conductivity gradually recovered after 3 d of the low mass concentration treatment, while the high mass concentration harmed the algae cells, causing N. hantzschia to gradually die.
文摘An idea on interfacial equilibrium-potential differences () which are generated for the extraction of univalent metal picrate (MPic) and divalent ones (MPic2) by crown ethers (L) into high-polar diluents was improved. These potentials were clarified with some experimental extraction-data reported before on the M = Ag(I), Ca(II), Sr(II) and Ba(II) extraction with 18-crown-6 ether (18C6) and benzo-18C6 into 1,2-dichloroethane (DCE) and nitrobenzene (NB). Consequently, it was demonstrated that the? values from the extraction-experimentally obtained logKD,Pic ones are in agreement with or close to those calculated from charge balance equations in many cases, where the symbol, KD,Pic, denotes an individual distribution constant of Pic﹣ into the DCE or NB phase. Also, it was experimentally shown that extraction constants based on the overall extraction equilibria do not virtually contain the? terms in their functional expressions.
文摘The reaction of acenaphthene with nitrobenzene was investigated in the presence of AlCl 3 . The results showed that the reaction proceeded via carboncation-electrophilic substitution reaction and free radical substitution reaction pathway. The products of acenaphthenyl phenylamine and biacenaphthyl could be synthesized by this reaction. The influence of the amount of AlCl 3 and the temperature on the components of products were also studied in this reaction.
基金Project supported by the National Natural Science Foundation of China(Grant Nos.21173063 and 21203047)the Foundation of Heilongjiang Bayi Agricultural University,China(Grant No.XZR2014-16)+1 种基金NSAF(Grant No.U1330106)the Special Research Project of National Key Laboratory of Shock Wave and Detonation Physics,Institute of Fluid Physics,China Academy of Engineering Physics(Grant No.2012-S-07)
文摘The structural deformation induced by intense laser field of liquid nitrobenzene(NB) molecule,a typical molecule with restricting internal rotation,is tracked by time- and frequency-resolved coherent anti-Stokes.Raman spectroscopy(CARS) technique with an intense pump laser.The CARS spectra of liquid NB show that the NO_2 torsional mode couples with the NO_2 symmetric stretching mode,and the NB molecule undergoes ultrafast structural deformation with a relaxation time of 265 fs.The frequency of NO_2 torsional mode in liquid NB(42 cm^(-1)) at room temperature is found from the sum and difference combination bands involving the NO_2 symmetric stretching mode and torsional mode in time- and frequency-resolved CARS spectra.
基金Supported by the National Natural Science Foundation of China(21407077)the Postdoctoral Science Foundation of Jiangsu Province(1002013C)+1 种基金the Fundamental Research Funds for the Central Universities(308201NS2012079)the Priority Academic Program Development Fund of Jiangsu Higher Education Institutions
文摘To better understand the formation of H2O2 in the ozonation of nitrobenzene and its role for the oxidation,a batch reactor of nitrobenzene ozonation was set up.The variables such as pH value,ozone dosage,and the presence of hydroxyl radical scavenger were investigated.The results showed that high accumulations of H2O2 were generally formed at low pH values and low ozone dosages.Moreover,H2O2 mainly formed after nitrobenzene was oxidized by hydroxyl radical during ozonation of the intermediates,such as p-nitrophenol,which reacted with ozone quickly in water.A small amount of additional H2O2 enhanced the nitrobenzene removal slightly.The kinetic study showed that nitrobenzene degradation fitted with pseudo-second-order kinetics well in the experiment.The kinetic constant values correlated linearly with the concentrations of H2O2 added.Thus,it is expected that the H2O2 formed in oxidation of nitrobenzene may initiate ozone decomposition to form hydroxyl radical and finally enhance the degradation of aromatic compounds to a certain extent.
文摘It is experimentally found that different renction courses exist when mtrite ion reacts with nitrobenzenes with different electron withdrawing groups. when it is substituted with strong electron withdrawing groups. self-condensation in aprotic polar solvent occurs to give symmnetrical disubstituted diphenyl ethers. However. when it is substituted with moderate electron withdrawing groups, no diphenyl ethers are obtained under the same conditions, instead, corresponding carboxylates are yielded. As a result. the applicability of this reaction is distinctly
文摘A new kind of nonionic surfactant ionophore is introduced to facilitate metal ion transfer across a liquidlliquid interface. The transfer of Na+ facilitated by emulsifier OP across the water/nitrobenzene interface has been studied by send-differential cyclic voltammetry, and a new method for the deterndnation of emu1sifier OP was established. The proposed method is simple,easy and effective.
文摘The 1-azido-2-chloro-4-nitrobenzene was prepared by nucleophilic substitution between 2-chloro-4-nitro-1-(trifluoromethylsulfinyl)benzene and sodium azide, and its structure was characterized by NMR spectrum and X-ray single-crystal diffraction. It crystallizes in the monoclinic system, space group P21/n, Z = 8 and Mr = 198.57. A cultivation process of the single crystal of unstable aryl azide was provided. The group of trifluoromethyl sulfinyl was found for the first time to be a new excellent leaving group of aromatic nucleophilic substitution reactions.
文摘Nitrobenzene was reported to occur at relatively high concentrations in some Chinese surface water and to cause an environmental pollution event in 2005.To map the distribution of nitrobenzene in the Chinese surface water throughout China,surface water samples were collected from over 600 sites in the 7 major watersheds and three drainage areas.The samples were analyzed for concentration of nitrobenzene.Overall,nitrobenzene was more frequently detected at higher concentrations in the rivers of North Chin...
基金supported by the Natural Science Foundation of Yancheng Teachers University (08YCKL077)the Jiangsu Provincial Key Laboratory of Coastal Wetland Bioresources & Environmental Protection (JLCBE 07025)the Educational Bureau of Jiangsu Province (08KJD150021)
文摘In this study,DFT-B3LYP level of theory with the 6-311G basis set was used to calculate a set of molecular descriptors of 36 nitrobenzenes.Quantitative structure-activity relationship(QSAR) models of the toxicity(pIGC50) of 36 nitrobenzenes were established using some of the following calculated descriptors:HOMO energy(EHOMO),LUMO energy(ELUMO),the difference between LUMO and HOMO energy values(ΔE=ELUMO-EHOMO),average polarizability(P),dipole moment(μ),molecular volume(V) and the charge of nitro group(Q-NO2).The QSAR models obtained by employing stepwise multiple regression techniques are aimed at correlating the structures with their reported experimental toxicity values.Among the models presented in this study,statistically the most significant one is a two-parameter linear equation with the correlation coefficient(R2) of 0.896 and cross-validated correlation coefficient(R2CV) of 0.878.To further validate the predictive ability of the resulting model,external validation was carried out with R2ext and Q2ext values of 0.894,0.900,0.909,0.874,0.885 and 0.903,respectively.This study also reconstructed the obtained models using AM1-based calculated descriptors to demonstrate the superiority of DFT over AM1 for quantum calculations of mechanical descriptors.The results were discussed in the light of the main factors that influence the toxicity of nitrobenznenes.
文摘More than 100 t of nitrobenzene (NB) and related compounds were discharged into the Songhua River,the fourth longest river in China,because of the world-shaking explosion of an aniline production factory located in Jilin City on November 13,2005.As one of the efforts to predict the fate of residual NB in the river,NB biodegradation abilities by microbes in the water and sediments from different river sections were evaluated systematically.The results indicated that microbial communities from any section ...
