化学动力学

• In this paper , nox formation model of direct injection diesel engines was established , which combines the quasi - dimensional spray combustion model based on hiroyuki hiroyasu ' s model with the detailed chemical kinetics mechanism of nox formation . the experimental study proves that the model has good precision , so it can be applied to explain the main factors which affect nox formation during the combustion of direct injection diesel engines
  本文在广安博之的油滴蒸发准维燃烧模型的基础上，结合生成no _ x的详细化学动力学机理，建立了直喷式柴油机的no _ x生成模型，并通过实验验证本文建立的模型的正确性，进而用模型研究影响直喷式柴油机燃烧过程中no _ x生成与排放的主要因素。
• On the basis of above experiments , the chemical kinetic model inwhich organic matter of source rock of deep - formation in the north of songliao basin primarily crack into oil or gas is established , which set up a basis for evaluating oil - generating amount , gas - generating amount of source rock of deep formation in different periods ; set up the chemical kinetic model inwhich different qualities of oil and family constituents in oil secondarily cracked into gas , which provide theoretical foundation and practical methods for dynamic evaluation of gas - generating amount and oil - consuming amount in process of oil cracking . the geochemical features of source rocks in deep - formation of basins are systematically evaluated
  在上述实验基础上，建立了松辽盆地北部深层源岩有机质初次裂解成油、成气的化学动力学模型，为评价深层源岩于不同时期的生油量、生气量奠定了基础；建立了不同性质原油及原油中各族组分二次裂解成气的化学动力学模型，为动态评价油裂解过程的成气量和耗油量提供了理论依据和实用方法；对盆地深层源岩的地化特征进行了系统评价；考虑到深层源岩的成熟度较高，实测地化指标(残余有机碳、氢指数等)不能客观反映源岩有机质的原始丰度和原始生烃潜力。
• The purpose of this study is to develop a three - dimensional numerical calculation model for spark - ignited premixed - charge lpg single fuel engine , which includes chemical kinetics submodel , ignition submodel , turbulent combustion submodel and emissions submodel . the conclusions obtained from this study provide a principle guide for optimum design of combustion system and to obtain satisfying characteristics in emission , performance and economy of lpg engine upon suitable structure and operating parameters , such as compression ratio , valve timing and spark timing
  本论文的主要研究目标是单燃料lpg发动机的结构参数和运行参数对发动机性能的影响，以建立针对点燃式lpg发动机的三维燃烧模型，包括化学动力学模型、点火模型、湍流燃烧模型、排放模型为主要技术手段，并将燃烧模型计算结果和采用稀氧传感器反馈控制的lpg实验发动机上实测数据相比较验证。
• As an example of 3d program with high quality mesh , proper boundary & initial conditions and ingenious simulation strategy , numerical analysis of flow - fields in hylte nozzle and cavity of dfcl running on fuel system of ( nf3 + h2 + he ) / d2 and experimental stagnation parameters , has been performed using vibration - state - unbalance & rotation - state - balance model , and a detailed kinetic model including 111 one - way primary reactions expressing by finite rate equations between thirteen species . the coefficients of transportation used in the analysis are calculated by employing the formulas of molecular kinetics
  新建立的三维程序在高质量网格、合理的初边值以及模拟方案基础上，采用振动非平衡?转动平衡模型和有限速率方程表达的111个单向基元反应的化学动力学模型，利用分子运动理论计算的输运系数和工程实验采用的滞止参数，对运转( nf _ 3 + h _ 2 + he ) d _ 2燃料体系的df激光器的hylte喷管和光腔进行了数值模拟分析。
• According to the physical model , a mathematical model and computational method were proposed . an axially symmetric transient thermal conduction equation was put forward , which included material pyrolysis , pyrolysis gas flow and chemical reaction in charred layer . chemical reaction was controlled by chemical dynamics , and the reaction rate was computed using arrhenious equation
  针对物理模型提出了相应的数学模型和数值计算方法，在材料内部建立了二维轴对称的非稳态导热控制方程，其中加入了材料热解、热解气体流动以及炭化层内的化学反应等因素的影响，化学反应由化学动力学控制，通过arrhenius公式确定其反应速率。
• With effective work in chemical kinetics mechanism , turbulent combustion , estimation of the initial and boundary conditions and the combination of the complex chemistry solver technology from the chemkin collection and the flow solver technology of star - cd , the success of the three - dimensional numerical calculation is first obtained in spark - ignited premixed - charge lpg single fuel engine
  理论上以lpg发动机缸内三维燃烧模拟为主要内容，从化学动力学机理、湍流燃烧、确定计算的初始条件三个方面着手，首次将chemkin的处理详细化学机理的功能和star - cd处理湍流燃烧的长处相结合，成功地对点燃式lpg发动机进行缸内燃烧三维计算，取得了较为满意的结果。
• The dynamics equations of soil water vaporizing and ammonia volatilizing hcluding the factors of water and temperature , and the dynamics - like equation of urea transforming into ammonium nitrogen in soil are founded in the paper , by taking the effect of interaction of water and temperature as subject , the dynamic change character of object studied as basis and using principle of chemical dynamic ; the empirio - equations of soil water retention curve including temperature and the empirio - equations including temperature between water potential of millet seedling leaves and soil water are founded in order to make the equation of relation between water potential and water content in soil suit the demand of temperature change much better
  本文以水热耦合效应为主题，基于研究对象的动态变化特征，应用化学动力学原理，建立了含水、热因子以及水热耦合效应的土壤水分蒸发、肥料氨挥发动力学方程，以及施入土壤中的尿素转化为铵态氮的动力学型方程；为使水势?含水量关系式更好适应变温条件应用的要求，建立了含温度因子直接表征土壤持水曲线的经验方程，以及含温度因子的谷苗叶水势与土壤含水量关系经验方程。
• Considered that the maturity of deep - formation source rocks is relative high and the practical tested geochemical index ( remnant organic carbon , hydrogen index etc ) can not objectively reflect the original abundance and original hydrocarbon - generating potential of organic matter in source rocks , original hydrocarbon - generating potential and original organic carbon of organic matter are restored from progressive recurrence using chemical kenetic models to calculate hydrocarbon - generating rate in this paper
  本文利用化学动力学模型计算的生烃率，建立并实现了通过逐步递推来恢复有机质的原始生烃潜力和原始有机碳。研究结果表明，松辽盆地北部深层恢复后的生烃潜力可达到恢复前的46倍，原始丰度可达到恢复前的2 . 2倍。
• Upper - year students are required to take " chemical bonding " , " transition metal chemistry " , " alcohols , ethers , carbonyl compounds " , " amines , arenes and heterocycles " , " chemical kinetics " , " molecular spectroscopy " , " instrumental analysis " , which are continuations of the courses they have taken earlier . the related laboratory courses focus on modern chemical technology
  高年级必修化学键、过渡金属化学、醇，醚与羰基化合物、酉安，芳烃与杂环、化学动力学、分子光谱学等与低年级相应之延续科目，而有关的实验课则注重近代化学技术。
• The reason of this may be as follows , firstly , the model has not including some important physical process such as gap effect , wall quenching extinction effect , which may greatly influence the emissions ; secondly , the emissions formation in the cylinder are not all of equilibrium process but the process controlled by the chemical kinetics
  原因之一是本模型未考虑诸多对排放具有显著影响的物理过程，如缝隙效应、壁面激冷淬熄效应等，其次说明发动机的缸内的过程并不全是平衡过程，许多排放物的生成受化学反应速度，即化学动力学的控制。