• 主题
高级搜索  >
历史搜索 清空历史
首页> 外文会议>AIChE Annual Meeting >MOLECULAR MODELS USING VBA TO OPTIMIZE THE PROCESS OF PETROLEUM REFINING
【24h】

MOLECULAR MODELS USING VBA TO OPTIMIZE THE PROCESS OF PETROLEUM REFINING

机译：使用VBA的分子模型优化石油精炼过程

获取原文
页面导航
  • 摘要
  • 著录项
  • 相似文献
  • 相关主题

摘要

This work makes the combination between information from mass spectroscopy analysis and algorithm search in VBA (Visual Basic for Applications) for identify a specific molecule in groups of known molecules. The method proposed in this work is based on classifying compounds by their molecular weights, i.e., the compounds present in a mixture will be separated into classes by a mass difference as small as you want. You can thus see which group of molecules previously generated an oil compound belongs by its molecular weight. As these groups were generated by compounds which are of a known composition, it is known that composition of a given compound will have between the possible compositions. To generate molecules based on knowledge of components of oil, we used the formulas of general organic compounds, which are formed by homologous series. Homologous series are series of organic compounds with similar chemical properties whose components differ by a constant reactive molecular weight (CH2). These series are generated and their molecular weights are calculated and arranged in increasing order of mass to be generated by the groups developed a computational procedure in VBA.
机译：这项工作使来自质谱分析和算法在VBA（Visual Basic的应用）中的信息之间的组合用于鉴定已知分子组中的特定分子。本作作品中提出的方法基于它们的分子量的分类化合物，即，在混合物中存在的化合物将以您想要的大小分离成类别。因此，您可以通过其分子量看出预先产生的油化合物的哪些分子。由于这些基团由具有已知组合物的化合物产生的，因此已知给定化合物的组成将在可能的组合物之间具有。为了基于油的组分的知识产生分子，我们使用了一般有机化合物的公式，其由同源系列形成。同源系列是一系列有机化合物，具有类似的化学性质，其组分因恒定的反应分子量（CH2）而异。产生这些系列，并计算它们的分子量并按较高的待产生量的质量顺序排列，在VBA中开发了计算过程。

著录项

相似文献

  • 外文文献
  • 中文文献
  • 专利
获取原文

客服邮箱：kefu@zhangqiaokeyan.com

京公网安备：11010802029741号 ICP备案号：京ICP备15016152号-6 六维联合信息科技 (北京) 有限公司©版权所有

  • 客服微信

  • 服务号