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使用CRW软件制作化学品相容性表格

使用CRW软件制作化学品相容性表格

声明:本文参考或部分内容引用知乎作者“八千里路”的文章“化学品相容性:CRW软件的使用”。

很多化学品之间会相互反应,化学品不相容性用来描述宽泛的化学品间相互反应。常见的不相容性物质组合的例子有:酸碱、氧化剂与还原剂、过氧化物的危险性、有机溶剂和强酸等。
在实验室使用化学品进行实验时,我们需要注意以下几个方面:
1.遵守禁忌化学品不混放的制度,以防止化学品之间发生危险反应;
2.确认危险化学品储运的方式是否正确;
3.使用和处置相关化学品时,一定要注意到全生命周期所有环节的反应。很多不相容危险可能就存在于不当的投料顺序和废料处置环节;
4.要清楚有哪些预防措施来防止不相容物料的混合风险。

虽然很多实验室都有化学品的MSDS(Material Safety Data Sheet,化学品安全技术说明书),这些MSDS少则2-3页,多则十几页,很少有人会全文通读并掌握,大部分都是为了应对检查而准备。图1所示的表格可能更适合放在实验室现场,通过表格大家能够快速地辨识化学品之间的不相容性,提前预知风险,采取合适的预防措施避免危害的发生。

                     图1 化学品相容性表格示例
图1所示的表格是由软件CRW(Chemical Reactivity Worksheet)生成,该软件可以从AIChe(American Institute of Chemical Engineers,美国化学工程师协会)下的CCPS(Center for Chemical Process Safety,化工过程安全中心)资源中心下载,软件下载界面如图2。

                       图2 CRW软件下载界面
CRW软件生成化学品相容性表格指导
1.创建表格
双击软件图标,在弹出的界面单击“OK”进入软件的主界面,单击“New Mixture”,在弹出的对话框中输入表格的名称,如“化学品相容性演示表格”,如图3。

                  图3 创建“化学品相容性演示表格”
2.添加化学品
由于这个软件是英文的,在添加化学品信息前,需要提前准备化学品的相关资料,主要是英文名称、CAS号(Chemical Abstracts Service,化学文摘社为化学物质分配的唯一数字识别码)。比如甲醇:Methanol,CAS号67-56-1。按图4所示顺序在软件系统中找到合适的化学品:
第一步:在查找模式中选择“Anywhere”,这相当于模糊查询;
第二步:输入CAS号,如67-56-1;
第三步:点击“查找Search”;
第四步:核对查询结果,找到目标化学品;
第五步:点击“Add to Mixture”。

                  图4 根据信息查找化学品并添加
重复上述步骤依次添加其他化学品,添加的化学品都会在下方罗列出来,如图5。

                     图5 已添加的化学品列表
3.生成表格
所有化学品添加完成后,单击图5中右下角的“View Chart”,软件是自动跳转至图6界面,这个表格还有很多其他功能,感兴趣的可以自己去研究。

                     图6 生成化学品相容性表格
4.导出表格
4.1在图6的左上角,单击“导出表格数据Export Chart Data”;
4.2在弹出的对话框(图7)点击“Proceed”;

                     图7 导出化学品相容性表格
4.3在弹出的提示信息对话框(图8)点击“OK”;

                       图8 表格导出的提示信息
4.4在弹出的Excel选项对话框(图9),点击“继续”;

                        图9 Excel选项对话框
4.5“指定导出时的字段顺序”对话框(图10),选择“全部清除”;(关键步骤

              图10 指定导出时的字段顺序(全部清除)
4.6点击“全部移动”,然后点击“导出”(图11);(关键步骤

            图11 指定导出时的字段顺序(全部移动)
4.7在软件的安装目录下找到“CRW-TO-EXCEL”这个文件(图12),双击打开,打开后效果见图13;

                  图12 打开CRW-TO-EXCEL文件

             图13 CRW-TO-EXCEL文件打开后界面
4.8点击图13中“Create Chart From”,在弹出的对话框选择软件安装目录下“CRW_Data_Export”并打开(图14),自动生成了化学品相容性表格(图15)。

                 图14 加载CRW_Data_Export数据

                      图15 化学品相容性表格生成
4.9删除一些不需要体现的内容,将溶剂名称更改为中文,调整行和列的距离,生成最终的化学品相容性表格(图16)。

                  图16 优化后的化学品相容性表格

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  1. CONNECT:[ UseTime:0.000685s ] mysql:host=127.0.0.1;port=3306;dbname=wenku;charset=utf8mb4
  2. SHOW FULL COLUMNS FROM `fenlei` [ RunTime:0.001056s ]
  3. SELECT * FROM `fenlei` WHERE `fid` = 0 [ RunTime:0.000330s ]
  4. SELECT * FROM `fenlei` WHERE `fid` = 63 [ RunTime:0.000272s ]
  5. SHOW FULL COLUMNS FROM `set` [ RunTime:0.000601s ]
  6. SELECT * FROM `set` [ RunTime:0.000196s ]
  7. SHOW FULL COLUMNS FROM `article` [ RunTime:0.000715s ]
  8. SELECT * FROM `article` WHERE `id` = 780979 LIMIT 1 [ RunTime:0.000493s ]
  9. UPDATE `article` SET `lasttime` = 1782322610 WHERE `id` = 780979 [ RunTime:0.001159s ]
  10. SELECT * FROM `fenlei` WHERE `id` = 64 LIMIT 1 [ RunTime:0.000231s ]
  11. SELECT * FROM `article` WHERE `id` < 780979 ORDER BY `id` DESC LIMIT 1 [ RunTime:0.000434s ]
  12. SELECT * FROM `article` WHERE `id` > 780979 ORDER BY `id` ASC LIMIT 1 [ RunTime:0.000385s ]
  13. SELECT * FROM `article` WHERE `id` < 780979 ORDER BY `id` DESC LIMIT 10 [ RunTime:0.001481s ]
  14. SELECT * FROM `article` WHERE `id` < 780979 ORDER BY `id` DESC LIMIT 10,10 [ RunTime:0.001306s ]
  15. SELECT * FROM `article` WHERE `id` < 780979 ORDER BY `id` DESC LIMIT 20,10 [ RunTime:0.000775s ]
0.109204s