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脱硫浆液中组分扩散及SO2溶解的分子动力学研究
  • ISSN号：0253-2468
  • 期刊名称：《环境科学学报》
  • 时间：0
  • 分类：X701.3[环境科学与工程—环境工程]
  • 作者机构：[1]浙江大学能源清洁利用国家重点实验室
  • 相关基金：国家杰出青年科学基金(No.51125025);“十二五”国家科技支撑计划项目(No.2011BAA04B08);杭州市环保局重大项目(No.HZYX-HJ-12200GK)~~
作者： 邬成贤, 郑成航[1], 张军[1], 张涌新[1], 高翔[1], 骆仲泱[1]
关键词： 湿法脱硫, 分子动力学, 扩散系数, SO2溶解, 微观结构
中文摘要：

采用分子动力学方法,从分子尺度研究了钙基湿法脱硫工艺中浆液组分的扩散动力学及SO2的溶解机制.同时,计算得到了20~70℃(293.15~343.15 K)温度范围内H2O、SO2、Ca2+、CO2-34种粒子的扩散系数随温度的变化及扩散活化能.最后,进一步运用径向分布函数等分析手段,研究了SO2在浆液中的水化结构、配位数及温度对SO2溶解结构的影响规律.研究结果表明:40℃(313.15 K)与50℃(323.15 K)两个温度下SO2与周围H2O作用最强,最利于SO2吸收.进一步的相互作用能分析也表明,50℃(323.15 K)左右浆液对SO2的捕集能力最强.

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期刊信息
  • 《环境科学学报》
  • 中国科技核心期刊
  • 主管单位:中国科学院
  • 主办单位:中国科学院生态环境研究中心
  • 主编：汤鸿霄
  • 地址：北京2871信箱
  • 邮编：100085
  • 邮箱：hjkxxb@rcees.ac.cn
  • 电话：010-62941073
  • 国际标准刊号：ISSN：0253-2468
  • 国内统一刊号：ISSN：11-1843/X
  • 邮发代号:82-625
  • 获奖情况:
  • 国内外数据库收录:
  • 美国化学文摘（网络版）,荷兰地学数据库,荷兰文摘与引文数据库,日本日本科学技术振兴机构数据库,中国中国科技核心期刊,中国北大核心期刊（2004版）,中国北大核心期刊（2008版）,中国北大核心期刊（2011版）,中国北大核心期刊（2014版）,英国英国皇家化学学会文摘,中国北大核心期刊（2000版）
  • 被引量:56074