循环流化床生物质气化炉内计算流体动力学模拟——鼓泡流化床内改进的颗粒床模型（英文）

采用改进颗粒床模型的CFD方法模拟了实验室规模冷模装置内鼓泡床的流体流动时空特性。模拟结果表明表观气速是影响气固动态特征和压力波动的主要因素之一：随表观气速的增大，气泡数目增加，气泡体积增大，压力波动增强；气速越高时均压降越大；在内循环鼓泡流化床内固体颗粒呈“单室”流型。上述与实验观察相吻合的模拟结果将有助于放大和设计商业化的内循环流化床生物质气化炉。     

加压流化床流化性质的实验与模拟研究

在二维射流流化床装置中,考察了压力对颗粒和气泡运动的影响规律.通过使用摄像技术详细的记录了压力下气泡的行为,并对其进行了分析,由此解决了较高压力下测量流态化性质较为困难的问题.数值研究通过CFD双欧拉模型模拟了带有V形分布器和中心射流的二维流化床内压力对气泡大小、床的膨胀率和射流深度的影响.实验和理论结果表明,在加压状态下,射流气速和分布板气速对气泡的产生、大小及形状有不同的影响.在较高的操作压力下,射流气速增加,气泡变长;分布器气速增大,气泡则变大;射流高度随着分布器气速的增加而降低.模拟结果与实验数据吻合较好,由此该模型为研究较高操作压力下射流流化床流化性质提供了有利的工具.     

密闭式电喷雾离子源中流场的分布特征

利用流体力学模拟软件Fluent构建了电喷雾离子源的二维模型，并基于所构建的模型探讨了离子源构型、辅助气引入方式、气体流速对源内流场分布的影响。结果表明，相比于其它两种结构，矩形结构的离子源能够提供较为稳定的流场。通入同轴辅助气和正交方向辅助气都能够起到聚集样品喷雾的效果，但作用效果却并不相同。提高同轴辅助气流速，能够增大喷口处混返区域，改变气流驻点位置。而增大正交方向辅助气流速，虽然同样能够提高源内各处气体流速，但并不会改变喷口处混返区域的大小。以Turbo V离子源为研究对象，考察了喷针位置、辅助气流速对溶液总离子流的影响，实验趋势与模拟结果基本吻合。     

多组分气固射流床流动特性 Ⅱ流型的划分

在３００×５０×２６００ｍｍ的二维射流流化床中,使用压力波动的功率谱分析方法,考察了９种单一、双组分混合物物性因素（粒径、密度）、操作因素（射流气速、喷口直径、静床高度、环隙气量）对射流流化床的三种流型：气泡串、射流、喷流相互转变的影响。结果表明,在较低静床高时,随着射流气速的增大,射流床内流型由气泡串、射流过渡到喷流;而静床高较高时,射流气速增大仅由气泡串过渡到射流。环隙气量增大、粒径增大、密度增大,喷流流型出现较困难,最后得出了流型转变图及转变的定量关系式     

CFB煤燃烧/热解双反应器中热解室对立管内气固流动特性的影响

考察了循环流化床煤燃烧/热解双反应器系统中热解室的存在对立管内的压力分布及气固流动状况的影响。提升管的内径100 mm、高6 m，立管的内径44 mm、高3 m，热解室的截面积200 mm×200 mm、高770 mm。结果表明，随着提升管内表观气速Ur的增加，有无热解室立管内均为负压差流动，负压差梯度随着Ur的增加而减小。有热解室时，热解室内要保持一定的料位高度，整个立管内固体颗粒的流动为负压差移动床流动；没有热解室时，立管内为稀相流动和移动床流动同时存在，立管内平衡料柱高度随Ur的增加而升高。随着循环量Gs的增加，两种类型的立管内负压差梯度均随之增大，也存在着流动形态的差别。循环量Gs的增加会引起立管内平衡料柱高度的降低。立管内气固相对滑移速度也随着循环量Gs的增加而增大。     

双射流流化床流动特性的研究

在一300×2600mm二维双射流流化床中,采用多路压力信号采集装置,详细研究了射流气速、射流喷口管间距离、静床高度、物性参数对双射流流化床射流流动特性的影响,发现双射流从单独存在到两射流在其射流区内发生射流合并可由压力波动时间序列的功率谱主频和Hurst指数的变化定量确定,结果还表明,双射流流化床管间距减小时,射流在射流区发生合并的射流气速降低;而管间距相同时,静床高变大,射流在射流区发生合并的射流气速也降低;对于相同粒径的固体颗粒,颗粒密度增大使得射流在射流区发生合并的射流气速变大。     

循环流化床(CFB)煤/焦气化反应的研究 Ⅰ.操作气速、固体循环速率对循环流化床气化反应的影响

报道了山西西山焦煤飞灰，在小型循环流化床气化反应器上，以二氧化碳为气化介质，在不同操作条件下（气速、固体循环速率）的气化反应。研究结果表明，ＣＯ出口浓度及碳转化率随着ＣＦＢ操作气速减小、固体颗粒循环速率的增加而增加。即在ＣＦＢ床中，提高气体、固体停留时间（床内固体颗粒浓度）有利于ＣＦＢ气化的进行。ＣＯ浓度及碳转化率沿床高的变化趋势与床内颗粒浓度分布一致。     

强制液体外循环气升式环流反应器中内环气含率分布

在常规环流反应器基础上,将液体强制外循环并采用中心下料管和环管式气体分布器结构,该反应器主体(φ0.284 m×3.0 m)是有机玻璃制成的.采用空气-水气液两相体系以考察气体速度和外循环液体速度对内环气含率轴径向分布的影响.实验结果表明,内环局部气含率和轴向平均气含率均随表观气速和外循环液速的增大而增大;在不同的轴向位置,内环气含率的径向分布特性有所差异,其原因是由研究所采用的特殊反应器结构所致;内环轴向平均气含率先随轴向高度的升高而增大,在离开导流筒后略有降低.在此基础上采用商业软件ANSYS CFX10.0对该反应器进行数值模拟.模拟结果表明,装置的非轴对称导致内环气含率呈非轴对称分布特性;截面平均气含率在分布器上方出现骤然增大,由于下料管液流的影响在其下方出现一个相对低点,这对实验研究起到了补充作用.因此,对于新型反应器的研发,可采用实验与模拟相结合的策略.     

循环流化床（CFB）煤／焦气化反应的研究：I.操作气速,固体循环速率 …

报道了山西西山焦煤飞灰，在小型循环流化床气化反应器，以二氧化碳为气化介质，在不同操作条件下（气速，固体循环速率）的气化反应，研究结果表明，ＣＯ出口浓度及碳转化率随着ＣＦＢ操作气速减小，固体颗粒循环速率的增加而增加，即在ＣＦＢ床中，提高气体，固体停留时间（床内固体颗粒浓度）有利于ＣＦＢ气化的进行，ＣＯ浓度及碳转化率沿床高的变化趋势与床内颗粒浓度分布一致。     

气-固流化床分布板稳定性的研究

以往对流化床分布板稳定性的研究大多仅考虑分布板的宏观特性——板压降,所给出的分布板稳定性判据均为板压降与床压降的比值。本文在二维气固流化床中采用归原性实验的方法,对气-固流化床气体分布板的稳定性问题进行了研究。实验结果表明:分布板的稳定性能,不仅与板压降有关,而且与分布板的喷嘴元件结构有关,特别是,操作所用固体物料的性质对分布板稳定性影响也很大。本文在实验和分析的基础上,提出了归原准数R这一反映     

A carbanion induced synthesis of highly congested pyrazole and imidazole containing heterocycles

An efficient approach to the synthesis of highly congested di, penta and hexacyclic pyrazoles as well as imidazole fragment containing novel heterocyclic molecule has been developed through a carbanion induced transformation of suitably functionalized 2H-pyran-2-ones, benzo[h]chromene and thiochromeno[4,3-b]pyrans. Due to the presence of fluorescence, we report their prime application metal sensor as off/on switching in ferric ions.     

Selective synthesis of 4,5-dihydroimidazo- and imidazo[1,5-a]quinoxalines via modified Pictet–Spengler reaction

An efficient tandem approach for the selective synthesis of 4,5-dihydroimidazo[1,5-a]quinoxalines 6a–g and imidazo[1,5-a]quinoxalines 7a–h by the reaction of 2-imidazolyl anilines 4a–c with aryl aldehydes 5a–k under mild reaction conditions is described. Introduction of electron releasing alkyl groups in substrates 4a–b was found to be instrumental for the success of the reaction.     

Understanding the Diels-Alder reactivity of 1,2-azaborine analogues

The Diels-Alder reactivity of 1,2-heteroborines (H₄C₄B(H)X, X?=?NH, PH, AsH; O, S, Se) has been computationally explored by means of Density Functional Theory (DFT) calculations. The influence of the HB?=?X fragment on the reactivity of the system has been quantitatively analyzed in detail by means of the so-called Activation Strain Model (ASM) of reactivity. It is found that the interaction between these species and the dienophile is significantly stronger than that computed for their all-carbon isoelectronic counterpart, benzene. In addition, the strain energy plays a key role in the observed reactivity trends. The role of the aromaticity strength of these heteroarenes on the reactivity is also assessed.     

Synthesis of N-substituted carbazolones from α-iodo enaminones via Pd(0)-catalyzed intramolecular coupling under microwave irradiation

A variety of N-aryl and N-alkyl carbazolones were conveniently achieved in good to high yields via Pd₂(dba)₃-mediated intramolecular coupling of N-substituted α-iodo enaminones under microwave irradiation. The Pd(0)-catalyzed cyclization was found to proceed favorably with the more electron-deficient phenyl ring during the reactions involving unsymmetrical N,N-diaryl α-iodo enaminones. This unique property enables the construction of carbazolone skeleton containing nitro substituted benzenoid ring.     

Synthesis of substituted 2,4,5,6-tetrahydrocyclopenta[c]pyrazoles and 2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazoles by intramolecular nitrilimine cycloaddition

Both substituted 2,4,5,6-tetrahydrocyclopenta[c]pyrazoles and 2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazoles have been synthesized by the 3+2 intramolecular dipolar cycloaddition of nitrilimines to alkynes. This cyclization has been extended to more versatile 3-bromo derivatives by the use of alkynylbromides as dipolarophiles.     

Catalyst free,visible-light promoted photoaddition reactions between C60 and N-trimethylsilylmethyl-substituted tertiary amines for synthesis of aminomethyl-1,2-dihydrofullerenes

An efficient and benign method for the preparation of aminomethyl-substituted fullerenes has been developed. The process, involving catalyst free, visible-light irradiation of 10% EtOH-toluene solutions containing fullerene C₆₀ and N-trimethylsilylmethyl-substituted amines by using a 20 W compact fluorescent lamp, leads to formation of aminomethyl-substituted fullerene adducts in a highly efficient manner. The photoaddition reaction takes place via a pathway initiated by visible light absorption by C₆₀, followed by SET from the amine to the triplet excited state of C₆₀. Ethanol-promoted desilylation of the resulting a minimum radical then generates the corresponding α-amino radical which couples with the C₆₀ radical anion to form the anion precursor of the fullerene adducts. The new approach using visible-light takes place under mild conditions and it does not require the use of photocatalysts. Thus, the method developed in this effort could broadens the range of functionalized fullerene derivatives that can be readily prepared.     

Highly efficient and stereoselective cycloaddition of nitrones to indolyl- and pyrrolylacrylates

The reactions of various nitrones with indolyl- and pyrrolylacrylates proceeds regioselectively with high diastereoselectivity in the case of aldonitrones, and represents an effective method for obtaining new indolyl- and pyrrolyl-substituted isoxazolidine carboxylates stabilized by weak (CH?O) and moderate (NH?N) strength intramolecular hydrogen bonding. The resulting cycloadducts exhibit promising in vitro anti-influenza activities.     

Transition metal-free direct amination of benzoxazoles using formamides as nitrogen sources

A transition metal-free method for the direct amination of benzoxazoles using formamides as nitrogen sources is reported, which was mediated by an inexpensive and environmentally friendly tetrabutylammonium iodide/tert-butyl hydroperoxide system and gave the 2-aminobenzoxazole derivatives with moderate to good yields.     

l-Proline-catalyzed five-component domino reaction leading to multifunctionalized 1,2,3,4-tetrahydropyridines

Multifunctionalized 1,2,3,4-tetrahydropyridines are concisely synthesized in good yields via l-proline-catalyzed or l-proline/FeCl₃-cocatalyzed one-pot multicomponent reactions (MCRs). The MCRs involve a domino hydroamination/prins reaction/Mannich-type reaction/intramolecular dehydration-cyclization process. The molecular structure of 5baa, one of multifunctionalized 1,2,3,4-tetrahydropyridines, was confirmed by single-crystal X-ray diffraction.     

Exploring the scope of the Gewald reaction: Expansion to a four-component process

An efficient four-component reaction was developed to take advantage of the reactivity of the 2-aminothiophene-3-carbonitrile functionality, which is obtained during the classical three-component Gewald reaction. Various α-methylene bearing ketones were reacted with malononitrile, elemental sulfur, and aryl/heteroarylnitrile derivatives in t-BuOH/NaOH to afford 2-arylthieno[2,3-d]pyrimidin-4-amines in high yields. Preliminary studies revealed the photophysical properties of the products and their potential for use as metal sensors.