Optimal control of thermal-engineering processes in tube furnaces

Results are presented for investigation of the effect of the concentration of liquid-fuel drops on the spread velocity of the flame in a tube furnace during the initial stage of a process. As the concentration x of liquid-fuel drops increases, the spread velocity of the flame diminishes when × < 9%, and increases somewhat at higher x values. __________ Translated from Khimicheskoe i Neftegazovoe Mashinostroenie, No. 3, pp. 8–9, March, 2006.     

HNCO与NO自由基反应机理的从头算研究

采用HF从头算法,在6-31G基组水平上系统研究了HNCO与NO自由基的反应机理.全参数优化了反应过渡态、中间体的几何构型,并通过振动分析对过渡态结构进行了确认,然后依据内禀反应坐标(IRC)理论,计算分析了反应途径上分子结构的变化过程;采用全电子的QCISD(T)方法对各驻点进行了单点能量校正,得出各步反应的反应位垒和反应热。结果表明,HNCO与NO自由基的反应有3种通道,通道1生成产物HNNO和CO,通道2生成产物HNN和CO_2,通道3生成产物HN和NCO_2,通过对反应位垒和反应热的比较,得出反应通道3为主反应通道。     

管式加热炉和相变加热炉在大港南部油田的适应性分析

本文通过对大港南部油田加热炉应用工况条件及两种主力加热炉的主要存在问题进行分析,提出了针对性改进措施。管式加热炉适应于掺污水等需要高温加热而间接炉不能胜任的场所;真空相变加热炉适应于加热矿化度低的清水、低含水原油等介质;承压相变加热炉适应于出口温度要求高的外输原油加热。通过分析适用范围,为油田加热炉的选型决策提供参考,从而保证加热炉的安全高效运行。     

锅炉烟管严重腐蚀事故原因分析

兰州市某单位于 1 995年 9月购进两台全自动燃气锅炉 (WHS1 .4- 1 .0 /95/70 - QJ) ,并于同年 1 1月投入运行 ,工作压力 0 .6 MPa。锅炉运行仅 6个月就发现 2 #炉有 1根螺纹烟管泄漏 ,无法正常运行 ,被迫停炉。1　原因分析1 .1　电化学腐蚀对腐蚀较严重的烟管进行了取样分析 ,结果见表 1和表 2。　　　　　表 1　螺纹烟管有关数据　　　　 %元　素 Al Si S Mn F e新鲜面— 0 .0 8— 0 .2 799.6 5外表面— 0 .2 5 0 .190 .6 4 98.92坑　外— 0 .5 40 .6 80 .2 5 98.5 0坑　内 1.6 9— 0 .43 0 .5 497.3 4　　　　　表 2　腐蚀产物检测数…     

应用灰色关联法分析影响酸岩反应速率的主次因素

利用灰色关联分析法,以长庆油田高桥区块下马家沟组白云岩岩心的酸岩反应动力学实验数据为基础,对碳酸盐岩反应速率的4个影响因素：酸液浓度、地层温度、酸液黏度和圆盘转速进行了分析评价,结果表明,四个因素的灰色关联度大小顺序依次为：转速〉温度〉浓度〉黏度。进一步明确了各相关性状对反应速率影响的大小与主次关系。     

Computational study of transition states for reaction path of energetic material TKX-50

Dihydroxylammonium5,5′-bistetrazole-1,1′-diolate (TKX-50) is considered as one of the new ionic energetic materials. In this study, we employed density functional theory (DFT) method to calculate the reaction path of TKX-50 and search its optimized configurations of reactants, reactant complexes (RCs), transition states (TSs), product complexes (PCs), and products. We proposed 10 simple reactions in the reaction path, and determined their transition states. Among these TSs, six of them have lower energies than those of reactants. The equilibrium constants, which indicate the limitation of reactions, were computed from the difference of Gibbs free energy with temperature change. Based on the proposed reaction path, the reaction mechanism of TKX-50 was provided.