计算模拟研究挥发性有机胺的大气转化机制与动力学

对流层大气包含大量的挥发性有机化合物(volatile organic compounds, VOCs),种类可高达10万种.研究表明, VOCs的大气转化对于O₃和二次有机气溶胶的形成起着重要作用.因此,获取VOCs的大气转化机制与动力学是量化VOCs区域或全球大气质量影响所需的重要信息.有机胺是一类重要的VOCs,其来源包括天然源和人为源.特别是,随着基于胺溶液的燃烧后CO₂捕捉技术的大规模应用,将会排放大量的挥发性有机胺,进而增加大气中有机胺的种类和浓度.近年来,越来越多的科学家开始关注基于胺溶液的CO₂捕捉单元释放的有机胺的大气转化机制与动力学.本文在早期关于有机胺的大气转化综述的基础上,重点介绍2012年以来,国内外学者采用计算模拟方法研究CO₂捕捉单元释放的有机胺的大气转化机制与动力学的最新进展,展望有机胺大气转化的未来研究方向.     

取代酚甲酰化水相反应体系的研究

Aromatic aldehyde is an important kind of substance for synthesis synthesis of natural products, medical molecules and other materials. Complex molecules can be synthesized by embedding aldehyde to aromatic rings. Extensive research in this field has done. Among others, Reimer-Tiemann reaction is applied comprehensively. Hydroxylate is synthesized in traditional Reimer-Tiemann reaction by alkaline reaction of phenol with chloroform in alcohol solvent. But it is complicated and low in yield.     

探讨室内空气中TVOC测定

总挥发性有机化合物是建筑工程室内环境污染控制指标中的一项重要检测指标。文章主要对室内空气中TVOC检测的采样条件和气相色谱进行了分析。     

有机物溶解度及辛醇/水分配系数的QSPR研究

首先通过对分子图的顶点和边同时着色得到染色分子图。借助于相对键长和点价δｉ来分别代替拓扑距离以及顶点度ｖｉ,并结合邻接矩阵和距离矩阵提出了一个用于表征含多重键、杂原子化合物的拓扑指数Ｘｕ,研究了该拓扑指数与不饱和链烃,卤代苯的溶解度,正辛醇／水分配系数的相关性。     

取代基效应对有机化合物性质的影响

取代基效应是有机结构理论的重要组成部分。取代基效应对有机化合物的物理性质、化学性质和反应活性等都有着重要影响,了解有机化学中的取代基效应及其在有机化学中的作用方式,对于学习有机化学及应用有机化学知识都至关重要。     

黄酮类化合物的质谱研究

黄酮类化合物的质谱研究陈俊杰，李裕林（厦门大学化学系）（兰州大学有机化学研究所）黄酮类化合物是植物最普通的成分之一，是色原烷或色原酮的衍生物．其结构特点是具有Ｃ６－Ｃ３－Ｃ６的基本骨架，并可根据中间吡喃环的不同氧化水平和两侧Ａ、Ｂ环上连接的各种取代基...     

HPLC法测定可立泰的含量

可立泰国这有级新药，对厌氧菌，滴虫等引起的口腔，男女泌尿生殖系统引起有特效，主药为替硝唑，化学名为１－（２－（乙基磺酰基）－乙基）－２－甲基－５－硝基咪唑，由于采用光谱法测定含量较烦琐，笔者采用高效液相色谱法对替硝唑进行了分离，并用内标法测定其含量，方法准确，可靠，重现性好。     

A mass transfer model for predicting emission of the volatile organic compounds in wet building materials

A new mass transfer model is developped to predict the volatile organic compounds （VOCs） from fresh wet building materials. The dry section of wet materials during the process of VOC emission from wet building materials is considered in this new model, differing from the mass transfer-based models in other literatures. The mechanism of effect of saturated vapor pressure on the surface of wet building materials in the process of VOC emission is discussed. The concentration of total volatile organic compounds （TVOC） in the building materials gradually decreases as the emission of VOCs begins, and the vapor pressure of VOCs on the surface of wet building materials decreases in the case of newly wet building materials. To ensure the partial pressure of VOCs on the surface of wet building materials to be saturated vapor pressure, the interface of gas-wet layer is lowered, and a dry layer of no-volatile gases in the material is formed. Compared with the results obtained by VB model, CFD model and the experiment data, the results obtained by the present model agree well with the results obtained by CFD model and the experiment data. The present model is more accurate in predicting emission of VOC from wet building materials than VB model.