电子束辐照下CF3Cl、CF2Cl2和CFCl3的计算机模拟降解

IF 0.7 4区物理与天体物理 Q4 CHEMISTRY, INORGANIC & NUCLEAR

Nukleonika Pub Date : 2023-07-05 DOI:10.2478/nuka-2023-0009

Stephen O Kabasa, Yongxia Sun, A. Chmielewski, H. Nichipor

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引用次数: 0

摘要

摘要电子束处理技术在去除氟氯化碳（CFCs）方面应该是通用的，因为它们对空气辐解过程中产生的热电子具有特殊的横截面。湿度、剂量率、O2浓度和CFC浓度影响电子束处理下破坏过程的效率。计算机模拟已用于从理论上证明在室温下，高达13kGy的剂量下，空气（N2+O2:80%+20%）中的三氟氯甲烷（CF3Cl）、二氯二氟甲烷（CF2Cl2）和三氟三甲烷（CFCl3）的破坏。在这些条件下，预测去除效率为CF3Cl（0.1%）本文章由计算机程序翻译，如有差异，请以英文原文为准。

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Computer-simulated degradation of CF3Cl, CF2Cl2, and CFCl3 under electron beam irradiation

Abstract Electron beam treatment technologies should be versatile in the removal of chlorofluorocarbons (CFCs) owing to their exceptional cross sections for the thermal electrons generated in the radiolysis of air. Humidity, dose rates, O2 concentration, and CFC concentration influence the efficiency of the destruction process under electron beam treatment. Computer simulations have been used to theoretically demonstrate the destruction of chlorotrifluoromethane (CF3Cl), dichlorodifluoromethane (CF2Cl2), and trichlorofluoromethane (CFCl3) in the air (N2 + O2: 80% + 20%) in room temperature up to a dose of 13 kGy. Under these conditions, it is predicted that the removal efficiency is in the order CF3Cl (0.1%) < CF2Cl2 (7%) < CFCl3 (34%), which shows the dependence of the process on the number of substituted Cl atoms. Dissociative electron attachment with the release of Cl– is the primary process initiating the destruction of CFCs from the air stream. Reactions with the first excited state of oxygen, namely, O(1D), and charge-transfer reactions further promote the degradation process. The degradation products can be further degraded to CO2, Cl2, and F2 by prolonged radiation treatment. Other predicted products can also be removed through chemical processes.