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用 Monte Carlo 方法模拟了惰性基片表面单层组装多环芳烃(传感元素)的荧光行为。考察了在不同长度的柔性连接臂情况下,基片表面传感元素固定化百分率、传感元素激发百分率(光吸收效率)以及传感元素分子在介质中相互缔合形成激基缔合物趋势大小(用 P 表示,P 值介于0～1之间)等因素对传感元素激基缔合物荧光发射强度与单体荧光发射强度(I_E/I_M)之比所产生的影响。结果表明,传感元素特性参数 P 的大小对薄膜传感特性影响相对较小。在不考虑量子产率的前提下,就惰性基片而言,要将 I_E/I_M控制在0.5～2之间,连接臂的长度至少可在3～12之间调节,传感元素固定化百分率可控制在30%～70%之间。此外,传感元素的激发百分率也对薄膜的 I_E/I_M 产生显著影响。一般而言,低的激发百分率对应于较高的 I_E/I_M比值,但过低的激发百分率也伴随着弱的荧光发射。因此,要使传感薄膜发挥最好的传感特性,激发百分率也不可以太小。
The fluorescence behavior of PAHs (sensor elements) assembled on the surface of inert substrates was simulated by Monte Carlo method. In the case of flexible connecting arms of different lengths, the sensing element immobilization percentage, the sensing element excitation percentage (light absorption efficiency) and the association of sensing element molecules in the medium to form an excimer are observed Size (P, P value between 0 and 1) on the ratio of the fluorescence emission intensity of the excimer to the monomer fluorescence emission intensity (I_E / I_M). The results show that the size of sensing element characteristic parameter P has a relatively small influence on the sensing characteristics of the film. Without considering the quantum yield, in the case of inert substrates, I_E / I_M should be controlled between 0.5 and 2, and the length of the linker should be at least between 3 and 12. The percentage of sensing element immobilization Can be controlled between 30% ~ 70%. In addition, the activation percentage of the sensing element also has a significant effect on the I_E / I_M of the film. In general, a low excitation percentage corresponds to a higher I_E / I_M ratio, but a too low excitation percentage is also accompanied by a weak fluorescence emission. Therefore, to make the sensor film to the best sensing properties, the percentage of excitation can not be too small.