H2 solubility and mass transfer in anthraquinone working solution:Experimental and modeling study

This work was focused on the measurement of the solubility of hydrogen(H_2) in anthraquinone working solution at temperatures of 30.0–80.0 °C and pressures of 0.2–3.0 MPa by the method of experimental and COSMO-RS model study. The influence of various factors, i.e., including pressure, temperature and solvent volume ratio, on H_2 solubility was investigated. According to the experimental results, H_2 solubility in anthraquinone working solution increases with the increase of pressure. At low pressures, the temperature had little effect on H_2 solubility while under high pressures H_2 solubility increases with increasing temperature. Henry's constant lnH has a good linear relationship with 1/T(lnH =- 1319.1/T + 9.91). The effect of volume ratio of trioctyl phosphate to trimethylbenzene on the solubility of hydrogen was studied and the results showed that increasing the amount of trimethylbenzene was conducive to the dissolution of hydrogen. In addition, there is a linear relationship between ln((P0- Pe) /(Pt- Pe)) and the time t. Gas–liquid mass transfer coefficient was obtained by calculating the slope of the line.     

GaN-MOVPE寄生反应的密度泛函理论研究

利用量子化学的密度泛函理论,探讨了TMG(Ga(CH₃)₃)/NH₃/H₂体系中的气体反应机理,特别关注了氨基物DMGNH₂的形成及其后的纳米粒子形核路径。通过计算不同温度下不同反应路径上Gibbs自由能的变化,从热力学和动力学两方面分析纳米粒子形核可能的产物。研究发现当T<622 K时,氨基物DMGNH₂可由加合物TMG:NH₃脱去CH₄生成,也可由TMG和NH₃双分子碰撞直接生成;当T>622 K时,氨基物DMGNH₂直接由TMG和NH₃双分子碰撞反应生成。当 662.5 K<T<939 K时,二聚物[DMGNH₂]₂相继脱去CH₄,变成[MMGNH]₂的反应容易发生。当389 K<T<734.7 K时,三聚物[DMGNH₂]₃相继脱去CH₄,变成[MMGNH]₃的反应容易发生。对于[MMGNH]₂和[MMGNH]₃相继脱去CH₄的反应,因为所有反应的ΔG>0,所以很难生成[GaN]₂和[GaN]₃。因此认为[MMGNH]₂和[MMGNH]₃是GaN-MOVPE低聚物纳米形核最可能的产物。     

The solubility of ettringite at 25°C

Available solubility constants indicate that ettringite should be the stable form of calcium aluminate sulfate hydrate with respect to monosulfate in cement porewater. However, monosulfate is generally present in mature cement pastes, usually in the absence of ettringite. The objectives of this study were to determine the solubility product of ettringite under equilibrium conditions and to examine the solubility data used in predictive thermodynamic models. Solubility products were calculated for ettringite prepared from both supersaturated and undersaturated solutions with a pH range between 10.4 and 13.7. The mean solubility product for ettringite dissolution: Ca₆Al₂O₆(SO₄)₃ · 32H₂O → 6Ca²⁺ + 2Al(OH)₄⁻ + 3SO₄²⁻ + 4OH⁻ + 26H₂O was 10^−44.91, i.e. Log K_sp = -44.91 ± 1.06 (2 S.D.). Activity coefficients were calculated using the specific ion interaction approach. The mean solubility product was close to other values calculated from concentrations reported elsewhere for the solubility of ettringite. As is the case for all solubility products, this value cannot be inserted directly into the databases of other thermodynamic models because of differences in the methods used to calculate activity coefficients and the manner in which ion-pairing is handled by different models. However, raw solubility data are provided for recalculation of the solubility product for use in other models.     

Mechanistic evidence of the partial oxidation of methane to formaldehdye over silica based oxide catalysts by temperature programmed reaction studies

The catalytic behaviour of SiO₂ supported MoO₂ and V₂O₅ catalysts in the partial oxidation of methane to formaldehyde with O₂ (MPO) in the range 400–800°C has been investigated by temperature programmed reaction (TPR) tests. Both the sequence of the onset temperature of product formation and the product distribution patterns signal that MPO on silica based oxide catalysts occurs mainly via a consecutive reaction path: CH₄ → HCHO → CO → CO₂. At T >/ 700°C a parallel surface assisted gas-phase reaction pathway leads to the formation of minor amounts of C₂ products both on SiO₂ and MoO₃/SiO₂ catalysts. The redox properties of MoO₃/SiO₂ and V₂O₅SiO₂ catalysts have been systematically evaluated by H₂ and CH₄ temperature programmed reduction (H₂-TPR, CH₄-TPR) measurements. H₂-TPR results do not account for the reactivity scale of oxide catalysts in the MPO. CH₄-TPR measurements indicate that the enhancement in the specific activity of the silica is controlled by the capability of MoO₃ and V₂O₅ promoters in providing ‘active’ lattice oxygen species.     

EFFECT OF THE DISTRIBUTION OF PYRIDINE 1-OXIDE ON ITS CATALYZED TWO-PHASE REACTION OF BENZOYL CHLORIDE AND CARBOXYLATE ION

Benzoyl chloride (PhCOCl) exhibits a peculiar inhibitve effect on its reaction with some sodium carboxylates (RCOONa) catalyzed by pyridine I-oxide (PNO) in a CH₂Cl₂/H₂O medium. However, the reaction follows well the rate law -d[PhCOCl]_org/dt = K_obs[PhCOCl]_org = (k_h + k_c [PNO]_i.aq )[PhCOCl]_org. Where k_h is the uncatalyzed rate coefficient, k_c is the catalyzed rate coefficient, and [PNO]_i,aq is the initial concentration of PNO in aqueous phase. When the concentration of RCOONa is the sufficiently high, k_obs, can be expressed as k_obs, = k_h + kPNO[P-NO]_i,aq/(l + k_PNO) Where is k_PNO the intrinsic rate coefficient of the reaction between PhCOCl and PNO in CH₂Cl₂ and k_PNO is the distribution constant of PNO between H₂O/CH₂Cl₂ phases and is defined as k_PNO = [PNO]_aq/[PNO]_org. In order to account for this peculiar phenomenon, the effects of organic compounds, including CCl₄, alcohol, ester, and carboxylic acid, were investigated. The presence of organic additive affects the distribution of PNO between H₂O and CH₂Cl₂ phases, the reaction rate, and the yield of product. In general, the value of k_PNO correlated well with the effective concentration of free PNO in the CH₂Cl₂ phase. For the PNO-catalyzed reaction of PhCOCl and CH₃COONa in H₂O/CH₂Cl₂ medium, the main conclusions are:

(1)The presence of ROH additive in CH₂Cl₂ increases the distribution of PNO is CH₂Cl₂ and the value of k_PNO due to the hydrogen bonding between ROH and PNO.

(2)The presence of nonpolar CC1₄ and RCOOR' in CH₂Cl₂ decreases distribution of PNO and the values of k_PNO.

(3)The presence of RCOOH in CH₂Cl₂ enchances the distribution of PNO in CH₂Cl₂ and the value of k_PNO. However, the main product is PhCOOCOR instead of PhCOOCOCH₃ in contrast to the cases of adding ROH, CCl₄, and RCOOR'.     

基于NiO/Ca2Al2SiO7的沼气自热化学链重整制氢热分析动力学模拟

以水泥的主要成分Ca₂Al₂SiO₇为惰性载体，采用热分析动力学研究了NiO/Ca₂Al₂SiO₇氧载体作用下沼气的化学链重整(chemical looping reforming, CLR)制氢性能。通过自编的MATLAB^?代码计算得到430种工况下CLR模拟结果，充分考虑NiO负载率y_NiO、氧载体循环流率F_s、氧载体转化率变化ΔX_s、水蒸气浓度x_{H_{2}O}及空气反应器温度T_AR的影响。调节氧载体循环流率，可实现对(xNiO+Ca₂Al₂SiO₇)/biogas质量比的控制，进而调整系统总焓变化ΔH，实现自热化学链重整(CLRa)，即ΔH=0。在CLRa状态下，T_AR和ΔX_s的升高均导致H₂产率降低，而F_s增加则有助于提高H₂产率。模拟结果表明，当NiO含量低于10%(质量)、T_AR接近1150 K、ΔX_s小于0.25、F_s大于2 kg?s^-1、x_{H_{2}O}小于54.5%（体积）时，H₂产率可达最优值1.57(m³ H₂)?(m³ biogas)^-1。对系统的热量平衡分析显示，CLRa能够在自热状态下运行，且反应器出口处气流携带热量能够满足进口处气流的预热需求。     

锆基双金属氧化物催化剂硫中毒的研究

在工业二氧化碳加氢制甲醇过程中,硫化氢气体的引入将对该过程中使用的催化剂活性及稳定性带来负面的影响。基于此,采用微反应合成法成功制备了InZrO_x和ZnZrO_x锆基催化剂,并研究了在二氧化碳加氢反应中,硫化氢气体对锆基催化剂的结构性质及其催化性能的影响规律。结果表明,在T=573 K、p=3.0 MPa和GHSV=18 000 mL/(g_cat·h)条件下,仅通入二氧化碳/氢气反应气时,InZrO_x和ZnZrO_x催化剂的二氧化碳转化率和甲醇选择性分别为7.2%、9.3%和93%、92%。在二氧化碳/氢气原料气中通入体积分数为5×10^-3硫化氢气体时,InZrO_x和ZnZrO_x催化剂的二氧化碳转化率和甲醇选择性都降为0,这主要是因为硫化氢气体占据了氧空位,导致锆基双金属氧化物催化剂硫中毒失活。当停止通硫化氢气体时,InZrO_x和ZnZrO_x催化剂的二氧化碳转化率和甲醇选择...     

BINARY AND MULTICOMPONENT VAPOR-LIQUID EQUILIBRIA OF SYNTHESIS GAS COMPONENTS, METHANOL AND WATER WITH TETRA ETHYLENE GLYCOL DIMETHYL ETHER (TETRAGLYME)

Binary and multicomponent vapor-liquid equilibria of synthesis gas components (H₂, CO, CH₄, and CO₂), methanol and water with tetraethylene glycol dimethyl ether (tetraglyme) were studied experimentally at temperatures (473-513 K) and pressures (5.3-10.4 MPa) typical of the conventional vapor phase methanol synthesis. Both vapor and liquid phases were sampled directly and analyzed by gas chromatography. Solubilities were expressed in terms of equilibrium K values. Optimal binary interaction coefficients for all components with tetraglyme were obtained for the Soave-Redlich-Kwong equation of state (SRKEOS [1] by minimizing the error in bubble point pressure prediction. K values predicted by the SRKEOS were in good agreement with those obtained experimentally.     

甲烷/乙烷与甲烷/丙烷混合燃料着火特性

利用激波管与CHEMKIN软件研究了不同初始条件下乙烷和丙烷的掺混对甲烷着火延迟时间的影响规律,并从化学动力学角度分析了掺混乙烷和丙烷对甲烷着火延迟时间造成影响的原因。实验与模拟研究表明乙烷和丙烷的掺混会造成甲烷着火延迟时间的大幅度缩短,但随着温度的升高,其对甲烷着火延迟时间的影响逐渐变小。通过敏感性分析发现无论是甲烷/乙烷混合燃料还是甲烷/丙烷混合燃料,对着火促进最大的基元反应都是H+O₂=O+OH（R1）,在甲烷/乙烷和甲烷/丙烷混合燃料的着火反应中对着火抑制最大的两个基元反应是CH₄+H=CH₃+H₂（R128）和CH₄+OH=CH₃+H₂O（R129）。通过路径分析发现在甲烷/乙烷与甲烷/丙烷混合燃料中,随着混合燃料中乙烷与丙烷比例的增加,甲烷的主要反应路径基本不发生变化,主要影响了CH₃的消耗速率。     

Simulation of H---C---S containing gas mixtures relevant to diamond chemical vapour deposition

Mole fractions of 24 species present within x%H₂S/1%CH₄/H₂ (x=0–1%) and 1%CS₂/H₂ gas mixtures have been calculated using the CHEMKIN computer package in conjunction with a mechanism based on the composite conversion: CH₄+2H₂SCS₂+4H₂. Arrhenius parameters for each elementary reaction involving S-containing species are presented, along with associated thermodynamic properties for each species. Molecular beam mass spectrometric measurements of species mole fractions in microwave activated x%H₂S/1%CH₄/H₂ (x=0–1%) mixtures agree well with the model calculations, if we assume a (reasonable) gas temperature of 1630 K. The agreement between similar measurements of both 0.5%H₂S/1%CH₄/H₂ and 1%CS₂/H₂ hot filament activated gas mixtures is less good, but the calculations succeed in reproducing many of the observed trends in species mole fraction with change in filament temperature.     

Circumventing fuel-NOx formation in catalytic combustion of gasified biomass

It has been shown that it is possible to decrease fuel-NO_x produced from NH₃ using catalytic combustion of a synthetic gasified biomass at fuel-lean conditions. In a certain temperature regime where the conversion of fuel components, such as CO, H₂ and CH₄, is low and conversion of NH₃ is high, it is suggested that the formed NO_x is reduced by the remaining fuel components, mainly hydrocarbons. With oxide catalysts only ca. 10% of the NH₃ was converted to NO_x, the rest to N₂. It has also been shown that the ignition sequence of CO, H₂ and CH₄ varied for different catalysts and different experimental conditions, and that methane coupling and methanation reactions occurred before ignition of CH₄.     

微型流化床中生物质半焦水蒸气气化反应特性及动力学研究

利用微型流化床反应分析仪考察了1123~1223 K及10%~40%蒸汽分压(SP)条件下生物质半焦-水蒸气气化的反应特性并计算动力学。结果表明：升高温度和SP有利于缩短反应时间,提高产物(H₂、CO和CO₂)生成率及总C转化率。低温(1123 K)下,反应受SP影响较大,以H₂最为明显,增幅达1.97倍;在1223 K、SP≥20%条件下,因受活性位点制约,SP对反应影响较小。随温度升高,CO/CO₂体积产率比呈现出先减小后增大趋势;在1123 K和1173 K下,随SP升高,CO/CO₂的体积产率比值降低;在1223 K下,该值维持在1.25左右。采用缩核模型求取不同SP下总碳转化活化能(E_a)在71.29~76.78 kJ/mol范围内,H₂、CO₂和CO的生成活化能分别在95.44~101.82、83.56~89.35和70.41~74.86 kJ/mol之间。测试结果弥补了现有分析仪难以测定气化过程中气体产物生成特性和动力学的局限性。     

Synthesis, structure and thermal properties of a novel 3D aluminophosphate UiO-26

The synthesis of a novel 3D aluminophosphate is described. The thermal properties of the material were investigated, and the existence of three high-temperature variants was revealed. The crystal structures of the as-synthesized material (UiO-26-as) and the material existing around 250°C (UiO-26-250) were solved from powder X-ray diffraction data. UiO-26-as with the composition [Al₄O(PO₄)₄(H₂O)]²⁻[NH₃(CH₂)₃NH₃]²⁺ crystallizes in the monoclinic space group P2₁/c (no. 14) with a=19.1912(5), b=9.3470(2), c=9.6375(2) Å and β=92.709(2)°. It exhibits a 3D open framework consisting of connections by PO₄ tetrahedra with AlO₄ tetrahedra, AlO₅ trigonal bipyramids and AlO₅(H₂O) octahedra forming two types of layers stacked along [1 0 0] and connected by Al–O–P bondings. The structure possesses a 1D 10-ring channel system running along [0 0 1], in which doubly protonated 1,3-diaminopropane molecules are located. UiO-26-250 with the composition [Al₄O(PO₄)₄]²⁻[NH₃(CH₂)₃NH₃]²⁺ crystallizes in the monoclinic space group P2₁/c with a=19.2491(4), b=9.27497(20), c=9.70189(20) Å and β=93.7929(17)°. The transformation to UiO-26-250 involves removal of the water molecule which originally is coordinated to aluminum. The rest of the structure remains virtually unchanged. The crystal structures of the two other variants existing around 400 (UiO-26-400) and 600°C (UiO-26-600) remain unknown.     

MgCO3·3H2O晶须的制备及其生长机制的研究

以MgCl₂·6H₂O和NH₄HCO₃为原料,CH₃COONa·3H₂O为形貌控制剂,采用沉淀结晶法制备MgCO₃·3H₂O晶须,考察了不同添加量的CH₃COONa·3H₂O对晶须结晶过程和形貌的影响,并研究了晶须在该体系中的生长机制。结果表明：当体系中加入质量分数为0.23%的CH₃COONa·3H₂O时可以成功制备长径比约为30的棒状MgCO₃·3H₂O晶须,CH₃COONa·3H₂O的存在促进了MgCO₃·3H₂O晶须的形成。该体系中晶须的生长过程：首先形成无定形的4MgCO₃·Mg（OH）₂·4H₂O,之后无定形4MgCO₃·Mg（OH）₂·4H₂O逐渐转变为MgCO₃·3H₂O并生长成较大长径比的棒状MgCO₃·3H₂O晶须。这是因为CH₃COONa·3H₂O电离产生的Na ⁺选择性吸附在MgCO₃·3H₂O晶体轴向的（101）晶面,抑制了该晶面生长,而径向晶面生长速率未受到影响,从而促使无定形MgCO₃·3H₂O生长成棒状晶须。     

Selective formation of CH3OH in the photocatalytic reduction of CO2 with H2O on titanium oxides highly dispersed within zeolites and mesoporous molecular sieves

Highly dispersed titanium oxide catalysts have been prepared within zeolite cavities as well as in the zeolite framework and utilized as photocatalysts for the reduction of CO₂ with H₂O to produce CH₄ and CH₃OH at 328 K. In situ photoluminescence, ESR, diffuse reflectance absorption and XAFS investigations indicate that the titanium oxide species are highly dispersed within the zeolite cavities and framework and exist in tetrahedral coordination. The charge transfer excited state of the highly dispersed titanium oxide species play a significant role in the reduction of CO₂ with H₂O with a high selectivity for the formation of CH₃OH, while the catalysts involving the aggregated octahedrally coordinated titanium oxide species show a high selectivity to produce CH₄, being similar to reactions on the powdered TiO₂ catalysts. Ti-mesoporous molecular sieves exhibit high photocatalytic reactivity for the formation of CH₃OH, its reactivity being much higher than the powdered TiO₂ catalysts. The addition of Pt onto the highly dispersed titanium oxide catalysts promotes the charge separation which leads to an increase in the formation of CH₄ in place of CH₃OH formation.     

Kinetic measurements of CH4 combustion over a 10% PdO/ZrO2 catalyst using an annular flow microreactor

A kinetic study on CH₄ combustion over a PdO/ZrO₂ (10%, w/w) catalyst has been performed in a temperature range between 400 and 550 °C by means of an annular catalytic microreactor.

The role of mass transfer phenomena including diffusion in the catalyst pore, gas–solid diffusion and axial diffusion in the gas phase, has been preliminary addressed by means of mathematical modeling. Simulation results have pointed out the key role of internal diffusion showing that thicknesses of the active catalyst layer as thin as 10–15 μm are required to minimize the impact of mass transfer limitations. The thermal behavior of the reactor has been also addressed by means of catalytic combustion tests with CH₄ and CO–H₂ mixtures as fuels. The results have demonstrated the possibility to obtain nearly isothermal temperature profiles under severe conditions (up to 3% of CH₄) thanks to effective dissipation of reaction heat by radiation from the catalyst outer skin.

Finally the effect of reactants (CH₄ and O₂) and products (H₂O and CO₂) on CH₄ combustion rate has been addressed. The results have shown that both H₂O and CO₂ markedly inhibit the reaction up to 550 °C. The data have been fitted by the following simple power law expression r=k_rP_CH4P_H2O^−0.32P_CO2^−0.25 with an apparent activation energy of 108 kJ/mol.

Evidences have been found and discussed indicating a key role of the support on the extent of such inhibition effects.     

H4SiW12O40-catalyzed oxidation of nitrobenzene in supercritical water: kinetic and mechanistic aspects

The catalytic effect of a heteropolyacid, H₄SiW₁₂O_40, on nitrobenzene (20 and 30 μM) oxidation in supercritical water was investigated. A capillary flow-through reactor was operated at varying temperatures (T=400–500 °C; P=30.7 MPa) and H₄SiW₁₂O₄₀ concentrations (3.5–34.8 μM) in an attempt to establish global power-law rate expressions for homogenous H₄SiW₁₂O₄₀-catalyzed and uncatalyzed supercritical water oxidation. Oxidation pathways and reaction mechanisms were further examined via primary oxidation product identification and the addition of various hydroxyl radical scavengers (2-propanol, acetone, acetone-d₆, bromide and iodide) to the reaction medium. Under our experimental conditions, nitrobenzene degradation rates were significantly enhanced in the presence of H₄SiW₁₂O₄₀. The major differences in temperature dependence observed between catalyzed and uncatalyzed nitrobenzene oxidation kinetics strongly suggest that the reaction path of H₄SiW₁₂O₄₀-catalyzed supercritical water oxidation (average activation E_a=218 kJ/mol; k=0.015–0.806 s⁻¹ energy for T=440–500 °C; E_a=134 kJ/mol for the temperature range T=470–490 °C) apparently differs from that of uncatalyzed supercritical water oxidation (E_a=212 kJ/mol; k=0.37–6.6 μM s⁻¹). Similar primary oxidation products (i.e. phenol and 2-, 3-, and 4-nitrophenol) were identified for both treatment systems. H₄SiW₁₂O₄₀-catalyzed homogenous nitrobenzene oxidation kinetics was not sensitive to the presence of OH√ scavengers.     

Investigation of slowing-down and speeding-up effects in binary mixture permeation across SAPO-34 and MFI membranes

Permeation experiments for Ar/CH₄ and CO₂/H₂ mixtures across a SAPO-34 membrane were performed with the objective of highlighting their distinct diffusion characteristics. For the Ar/CH₄ mixture, the effective transport coefficients of the individual components in the mixture were found to be practically the same as those obtained from unary permeation experiments, when compared at the same total loading at the upstream face of the membrane. There is no speeding-up of the tardier CH₄. Only at the high loadings is there evidence of a small, about 10%, slowing-down of the more mobile Ar.

A different picture emerges for permeation of CO₂/H₂ mixtures across SAPO-34 membrane. While the transport coefficient of CO₂ is practically identical to those obtained from unary experiments, there is a significant slowing-down of the more mobile H₂. At the highest loading, the transport coefficient of H₂ is about a third of the value of the pure component.

Permeation of CO₂/CH₄ mixtures across an MFI membrane showed that there is a significant slowing-down of the more mobile CH₄ with concomitant speeding-up of the tardier CO₂.

The incorporation of the Vignes interpolation formula for the exchange coefficient Ð₁₂ in the Maxwell–Stefan equations does not adequately reflect the slowing-down and speeding-up phenomena for either SAPO-34 or MFI membranes.     

四元体系（Li+， Mg2+//Cl-， borate-H2O）308.15 K相平衡与相图研究

采用等温溶解平衡法,开展四元体系Li⁺, Mg²⁺//Cl^-, borate–H₂O固液相平衡与相图研究,测定平衡溶液的液相组成、密度、折射率和pH。该四元体系相图中存在的盐类矿物为：LiCl·H₂O、Li₂B₄O₇·3H₂O、 MgCl₂·6H₂O、Mg₂B₆O₁₁·15H₂O和锂光卤石LiCl·MgCl₂·7H₂O,其中锂光卤石LiCl·MgCl₂·7H₂O是异成分复盐,溶液中MgCl₂存在下章氏硼镁石（MgB₄O₇·9H₂O）不稳定,转化为多水硼镁石（Mg₂B₆O₁₁·15H₂O）。多水硼镁石结晶区最大,表明镁硼酸盐易于结晶析出,而锂光卤石结晶区最小。采用Pitzer热力学模型对该四元体系的溶解度进行理论预测,计算相图与实验相图吻合较好。该四元体系的稳定相平衡与相图研究,可为含锂硼盐湖老卤中锂、镁、硼产品开发及其综合利用提供理论依据。     

Zn(Ⅱ)配合物催化C—C键裂解和原位合成2-甲基-4(3H)-喹唑酮

在配合物的水热合成过程中往往可以发现新的化学反应和催化机理。本文通过[Zn(L)₂·(H₂O)₂·(NO₃)₂]（L=4(3H)-喹唑酮）配合物在130℃催化乙腈分子中的CC键断裂,原位合成化合物2-甲基-4(3H)-喹唑酮。利用红外、元素分析和X射线单晶衍射表征分析2-甲基-4(3H)-喹唑酮和[Zn(L)₂·(H₂O)₂·(NO₃)₂]的结构,结果表明[Zn(L)₂·(H₂O)₂·(NO₃)₂]和2-甲基-4(3H)-喹唑酮属于三斜晶系,P-1空间群。三组温度控制实验表明,温度对2-甲基-4(3H)-喹唑啉酮的形成有着重要的影响,并且温度高于130℃有利于该催化反应的进行。采取电喷雾质谱表征2-甲基-4(3H)-喹唑酮的形成机理发现,[Zn(L)₂·(H₂O)₂·(NO₃)₂]催化乙腈分子中的CC键断裂,生成(CN)₂和·CH₃。·CH₃有选择性地引入到4(3H)-喹唑酮中的C原子和N原子之间。本文对原位引入CH₃有着指导作用。