Predicting Vapour Pressures of Organic Compounds from Their Chemical Structure for Classification According to the VOCDirective and Risk Assessment in General 英文参考文献.docVIP

下载本文档

6
0
约4.88万字
约 20页
2017-05-12 发布于上海
举报
版权申诉

Predicting Vapour Pressures of Organic Compounds from Their Chemical Structure for Classification According to the VOCDirective and Risk Assessment in General 英文参考文献.doc

1、原创力文档（book118）网站文档一经付费（服务费），不意味着购买了该文档的版权，仅供个人/单位学习、研究之用，不得用于商业用途，未经授权，严禁复制、发行、汇编、翻译或者网络传播等，侵权必究。。
2、本站所有内容均由合作方或网友上传，本站不对文档的完整性、权威性及其观点立场正确性做任何保证或承诺！文档内容仅供研究参考，付费前请自行鉴别。如您付费，意味着您自己接受本站规则且自行承担风险，本站不退款、不进行额外附加服务；查看《如何避免下载的几个坑》。如果您已付费下载过本站文档，您可以点击这里二次下载。
3、如文档侵犯商业秘密、侵犯著作权、侵犯人身权等，请点击“版权申诉”（推荐），也可以打举报电话：400-050-0827(电话支持时间：9:00-18:30)。
4、该文档为VIP文档，如果想要下载，成为VIP会员后，下载免费。
5、成为VIP后，下载本文档将扣除1次下载权益。下载后，不支持退款、换文档。如有疑问请联系我们。
6、成为VIP后，您将拥有八大权益，权益包括：VIP文档下载权益、阅读免打扰、文档格式转换、高级专利检索、专属身份标志、高级客服、多端互通、版权登记。
7、VIP文档为合作方或网友上传，每下载1次，网站将根据用户上传文档的质量评分、类型等，对文档贡献者给予高额补贴、流量扶持。如果你也想贡献VIP文档。上传文档

Predicting Vapour Pressures of Organic Compounds from Their Chemical Structure for Classification According to the VOCDirective and Risk Assessment in General 英文参考文献

Molecules 2001, 6, 370-389 molecules ISSN 1420-3049 Predicting Vapour Pressures of Organic Compounds from Their Chemical Structure for Classification According to the VOC- Directive and Risk Assessment in General. Erik Olsen1,* and Frands Nielsen2 1 National Institute of Occupational Health. Lers? Parkallé 105. DK 2100 Copenhagen ?, Denmark. Telephone: +45 3916 5317. Fax: +45 3916 5201. 2 Faxe Paper Pigments. Strandeksplanaden 110, DK 2665, Vallensb?k Strand, Denmark. *Author to whom correspondence should be addressed; e-mail: eo@ami.dk Received: 8 August 2000; in revised form 22 February 2001 / Accepted: 14 March 2001 / Published: 31 March 2001 Abstract: The use of organic compounds in the European Union will in the future be regulated in accordance with the Council Directive 1999/13/EC of 11 March 1999 [1]. In this directive, any organic compound is considered to be a volatile organic compound (VOC) if it has a vapour pressure of 10 Pa or more at 20oC, or has a corresponding volatility under the particular condition of use. Introduction of such a limit will sometimes create problems, because vapour pressures cannot be determined with an infinite accuracy. Published data on vapour pressures for a true VOC will sometimes be found to be below 10 Pa and vice versa. When the same limit was introduced in the USA, a considerable amount of time and money were spent in vain on comparing incommensurable data [2]. In this paper, a model is presented for prediction of the vapour pressures of VOCs at 20oC from their chemical (UNIFAC) structure. The model is implemented in a computer program, named P_PREDICT, which has larger prediction power close to 10 Pa at 20oC than the other models tested. The main advantage of the model, however, is that no experimental data, which will introduce uncertainty in the predictions, is needed. Classification using P_PREDICT, whic