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中文摘要：
针对氧化等典型有机化工"官能化"反应过程的选择性低的瓶颈问题，利用实验、理论和计算机模拟方法，瞄准如何实现传递与反应协同机制及强化的关键科学问题，研究液相快速反应过程中的分子混合和传递过程机理，揭示多相复杂体系微纳尺度上分散相的形成与界面传递规律，建立分子尺度、细观和宏观反应器尺度的物质传递与反应协同的理论模型，发展新的数值模拟方法，数值预测多相反应器内的流场和浓度场分布，掌握调控氧化等快反应过程的分子混合、传递与本征反应动力学之间相互匹配的共性规律，用于指导甲苯氧化、对二甲苯氧化等大型工业反应器的工程设计和优化改造，并为所属的重大项目创建过程强化与调控的反应新工艺技术平台、形成"节能减排"重大工程应用奠定科学基础。
英文摘要：
fast multiphase reaction；mixing；interphase transport；model and numerical simulation；reactor
结论摘要：
本课题针对典型有机化工快反应过程的选择性低的工业问题，围绕3个关键科学问题（1）多相分子混合的机理模型、计算和实验测定方法，（2）从微纳到宏观反应器尺度的耦合模型和高效计算方法，（3）工业多相快反应体系的调控规律及反应器的工程设计基础，取得的创新性进展概括如下 1. 微纳尺度流动和混合机理及强化界面传递（1）认识表面活性剂在界面区吸附、扩散和粘弹性作用机理，调控产生Marangoni对流，实现多相界面对流与传递的强化；（2）建立微尺度流型转换模型并用润湿角修正，利用毛细撞击流反应器强化微观混合；（3）模拟揭示反应器中剪切和拉伸强化颗粒尺度传递的机理，建立单气泡和双连接气泡运动的曳力系数修正模型。 2. 高相含率体系的多尺度模型和耦合模拟、快而准的高效计算方法（1）考虑连续相与分散相间的三向耦合作用，建立多相体系的多尺度耦合模型，用于高相含率的多相搅拌反应器的模拟；（2）提出多相显式代数应力模型并用于两相搅拌反应器模拟，精度高、计算速度快；（3）提出液液两相微观混合模型，实现了实际搅拌反应器的多相多过程耦合模拟。 3. 多相反应器的工程设计放大和强化规律及工业应用提出传递与反应协同机理与强化混合的原理图，用于筛选反应器类型；发明多个强化混合的反应器，实现搅拌和撞击流反应器的强化混合设计和工程放大，取得显著的工业应用效果，包括溴化丁基反应釜改造放大、SBS加氢反应器强化、撞击流反应器用于芳伦生产、硫铵反应结晶器工业放大、盐酸吉西他滨工艺中气液固搅拌反应器强化改造等。发表或接受期刊论文105篇（SCI源刊82篇），包括6篇AIChE J.、14篇Chem. Eng. Sci.、10篇Ind. Eng. Chem. Res.、1篇JACS、1篇Adv. Mater.；出版英文专著3章、中文专著1章，1本反应器英文专著2014年将由Elsevier出版；会议报告98篇（国际65篇，国际邀请21次，国内邀请9次），组织国际会议6次。授权中国发明专利13件，申请国际发明专利1件、中国发明专利11件，获计算机软件著作权8项。获上海市自然科学一等奖1项，以及日本化学工学会亚洲研究奖、中国青年科技奖等奖励或荣誉12项。培养毕业19名博士生和30名硕士生，出站博士后2名。课题负责人杨超2010年获得国家杰出青年科学基金，2013年入选“国家百千万人才工程”国家级人选。
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期刊论文
会议论文
专利
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著作
期刊论文
Experimental study and numerical simulation of local void fraction in cold-gassed and hot-sparged st
Removal of organic matter and ammonia nitrogen in ADC wastewater by a combination of power ultrasoun
Pohotograpic Study of Bubble Size Void Fraction Distributions in a Gas-liquid Stirred Tank with Holl
Mixing characteristics and bubble behaviors in an airlift internal loop reactor with low aspect rati
Modeling and Numerical Simulation of Yield Viscoplastic Fluid Flow in Concentric and Eccentric Annul
Plasticization of [C 12 MIM][PF 6 ] Ionic Liquid on Foaming Performance of Poly(methyl methacrylate)
Preparation of mesoporous silica microspheres with multi-hollow cores and their application in susta
PIV experiments and large eddy simulations of single-loop flow fields in Rushton turbine stirred tan
CFD-PBE simulation of premixed continuous precipitation incorporating nucleation, growth and aggrega
Synthesis of porous, nitrogen-doped adsorption/diffusion carbonaceous membranes for efficient CO2 se
会议论文
Computer simulation of the adsorption and separation of CO2/CH4 and CO2/N2 in C60 Impregnated COF-10
Development of novel monolithic catalyst with porous hollow silica nanoparticles for selective hydro
The Mixing Behaviors in a Micro Impinging Jet Reactor and Its Application for Precipitating Ultrafin
Experimental Study and Numerical Simulation of local Void Fraction in Cold-gassed and Hot-sparged St
Experimental studies on suspension of solid particles and power consumption in a low shear stirred v
Effect of surfactant on DMSO transport across water/hexane interface by molecular dynamics simulatio
Numerical simulation of liquid-liquid turbulent flow in a stirred tank with an explicit algebraic st
Experimental and numerical investigation on Marangoni effect induced by mass transfer during drop fo
Understanding and Prediction of Breathing Transition in MIL-53(Al): A Thermodynamics and Statistical
Precipitation of ultra-fine manganese dioxide by coupling micro-impinging mixing with ultrasonic rea
Macromixing characteristics and bubble behaviors in an airlift internal loop reactor with low height
CFD simulation of hydrodynamics, mass and heat transfer in a pilot airlift loop reactor for coal dir
Experimental and numerical investigation on Marangoni effect induced by mass transfer during drop fo
Numerical simulation of mass/heat transfer from/to a neutrally buoyant sphere in simple shear flow o
Molecular dynamics simulation on the interaction between polyelectrolyte and surfactants: effects of
Equation of state for square-well chain molecules with variable range: extension to associating flui
Experimental investigation of micromixing of a single-feed semi-batch precipitation process in a gas
Experimental and Computer Simulation Studies for the Adsorption Separation of CO2 from Flue Gas by 5
Experimental investigation and cfd modeling of micromixing of a single-feed semi-batch precipitation
Mixing characteristics and bubble behavior in an airlift internal loop reactor with low height-to-di
Direct numerical simulation of methanol-steam reforming in porous media constructed randomly with la
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