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For studying the adiabatic and nonadiabatic mechanisms of the ClO (X
2Π) + ClO (X
2Π) → ClOOCl → 2Cl (2
P
u) + O2 (X
3Σ
g
−) reaction (1) and the ClO (X
2Π) + ClO (X
2Π) → ClOOCl → Cl2 (X
1Σ
g
+) + O2 (X
3Σ
g
−) reaction (2), we calculated, by partial geometry optimizations under the C2 constraint, the O–O and O–Cl dissociation potential energy curves (PECs) from the five low-lying states of ClOOCl at the
CASPT2 level. The CASSCF minimum-energy crossing point (MECP) between the potential energy surfaces of the 1 1A ground state [correlating with the product of reaction (1)] and the 1 3B state [correlating with the product of reaction (2)] states was also determined. Based on the CAS calculation results (PECs,
energies, and spin–orbit coupling at the MECP), we predict that reaction (1) occurs along pathway 1: ClO (X
2Π) + ClO (X
2Π) → ClOOCl (1 1A) → 2Cl (2
P
u) + O2 (X
3Σ
g
−) and that reaction (2) occurs along pathway 2: ClO (X
2Π) + ClO (X
2Π) → ClOOCl (1 1A) → 1 1A/1 3B MECP (142.4 cm−1) → ClOOCl (1 3B) → Cl2 (X
1Σ
g
+) + O2 (X
3Σ
g
−). The needed energies (relative to the reactant) for pathways 1 and 2 are predicted to be 5.3 and 11.1 kcal/mol, respectively,
which indicates that reaction (1) is more favorable than reaction (2). The present work supports the traditional photochemical
model for ozone degradation: ClOOCl (1 1A), formed by two ClO (X
2Π), can directly produce O2 plus two Cl atoms. 相似文献
43.
正在研制的Z箍缩实验装置(Z-pinch Primary Test Stand,PTS装置),由24个基于Marx发生器和水线的性能、结构相同的模块组成,各模块产生的大电流脉冲在绝缘堆上汇集后经磁绝缘传输线汇流到负载区,要求在不到0.2 Ω的低阻抗负载上得到8 MA以上电流,电流上升时间小于90 ns。研制的样机模块由Marx发生器、中间储能器、激光触发开关、脉冲形成线、水介质自击穿脉冲形成开关、三板型脉冲传输线组成,样机模块输出电流450 kA、输出电压2.2 MV、输出脉冲功率0.95 TW,从触发激光器信号输出到负载电压上升的系统延迟时间抖动小于6 ns。 相似文献
44.
使用振声法探测埋地物体时,表层土壤松软导致地表振动传感器在耦合环节发生谐振, 造成谐频附近的信号失真,限制了所采信号的可用频段。针对传感器在水平方向的耦合谐振问题,该文研究了传感器质量对谐振频率的影响。仿真对比了传感器质量为2~250 g情况下信号采集系统的频响特征,并在季节性的冻土地表开展了对比实验与横波波速测量实验。仿真与实验结果表明:250 g传感器所对应的耦合谐频不超过800 Hz;2 g传感器的耦合谐频可超过1200 Hz;传感器质量越轻,耦合谐振频率越高,所采信号的可用频段越宽。 相似文献
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激光聚变内爆实验中,在燃料中掺杂少量比例的中高Z材料,用X光光谱和X光成像测量掺杂元素的发射信息,诊断燃料的温度、密度和压缩形状。用辐射流体力学数值计算和X光成像后处理程序综合分析方法,给出了内爆靶丸优化设计,并讨论示踪材料在X光诊断中的作用。结果表明:在靶丸燃料D2中掺原子分数约1.0%的氩,内爆压缩中子产额下降约15%。由于氩线发射使整个燃料区X光发射强度提高约50倍,X光成像区域增大约30%,有利于实验诊断测量燃料芯部。为了测量燃料区的边界,在CH内壳层涂厚度0.05 μm的硫,分析表明硫Ly-α单能成像大小与流体力学计算的燃料区大小一致,可用于诊断燃料最终压缩界面。数值分析结果得到了神光Ⅱ间接驱动内爆物理相关实验的验证。 相似文献
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