公开(公告)号：US09625439B2

公开(公告)日：2017-04-18

申请号：US13832747

申请日：2013-03-15

申请人： Roland B Saeger ,  Kaiyuan He

发明人： Roland B Saeger ,  Kaiyuan He

IPC分类号： G01N33/28 ,  G06F19/00

CPC分类号： G01N33/2835 ,  G01N33/2823 ,  G06F19/704

摘要： Method for determining the composition of a material, including obtaining a reference model of composition (MoC) of the material based on a molecular formula distribution of the material, and reconciling, using at least one computer processor, the reference MoC to match at least one target property of the material, is provided. The reference MoC can be expressed as a combination of molecular lumps with associated reference percent. The reconciliation can be carried out using by constrained optimization of information entropy, and the optimization can be performed on a more coarse-grained basis relative to the reference MoC.

公开(公告)号：US20130325418A1

公开(公告)日：2013-12-05

申请号：US13834864

申请日：2013-03-15

申请人： Roland B. SAEGER ,  Kaiyuan HE

发明人： Roland B. SAEGER ,  Kaiyuan HE

IPC分类号： G06F19/00

CPC分类号： G06F19/701 ,  G01N33/2823 ,  G06F19/704

摘要： Methods for generating molecular formula distributions beyond a predetermined threshold for a petroleum stream are disclosed. An initial molecular formula distribution within a predetermined threshold is obtained for a petroleum stream. A correlation between two or more molecular properties of the initial molecular formula distribution is identified, and the initial molecular formula distribution is extrapolated beyond the predetermined threshold along the correlation. The extrapolated molecular formula is renormalized based on renormalized based on renormalization data obtained from the sample. The renormalized molecular formula distribution can then be blended with the initial molecular formula distribution, reconciled to secondary analytical measurements, and/or used to create a model of composition and/or a molecular composition-based model of a resid upgrading process. Systems for implementing the methods are also disclosed.

摘要翻译： 公开了用于产生超过石油流的预定阈值的分子式分布的方法。 对石油流获得预定阈值内的初始分子式分布。 确定初始分子式分布的两种或更多种分子性质之间的相关性，并且初始分子式分布沿相关性外推超过预定阈值。 基于从样品获得的重整化数据，外推分子式被重新归一化。 然后将重整化的分子式分布与初始分子式分布混合，与二次分析测量相协调，和/或用于创建残留物升级过程的组成模型和/或基于分子组合的模型。 还公开了用于实现方法的系统。

公开(公告)号：US20130325362A1

公开(公告)日：2013-12-05

申请号：US13832747

申请日：2013-03-15

申请人： Roland B. Saeger ,  Kaiyuan He

发明人： Roland B. Saeger ,  Kaiyuan He

IPC分类号： G01N33/28

CPC分类号： G01N33/2835 ,  G01N33/2823 ,  G06F19/704

摘要： Method for determining the composition of a material, including obtaining a reference model of composition (MoC) of the material based on a molecular formula distribution of the material, and reconciling, using at least one computer processor, the reference MoC to match at least one target property of the material, is provided. The reference MoC can be expressed as a combination of molecular lumps with associated reference percent. The reconciliation can be carried out using by constrained optimization of information entropy, and the optimization can be performed on a more coarse-grained basis relative to the reference MoC.

摘要翻译： 用于确定材料组成的方法，包括基于所述材料的分子式分布获得所述材料的组成参考模型（MoC），以及使用至少一个计算机处理器调整所述参考MoC以匹配至少一个 提供材料的目标性能。 参考MoC可以表示为具有相关参考百分比的分子块的组合。 可以通过信息熵的约束优化来进行协调，并且相对于参考MoC可以以更粗粒度的基础执行优化。