公开(公告)号：US20120303341A1

公开(公告)日：2012-11-29

申请号：US13491759

申请日：2012-06-08

申请人： Eduardo Fontes ,  Henrik von Schenck ,  Ottmar Raeymaeckers ,  Philip Byrne ,  Lars Langemyr ,  Michael Frenklach

发明人： Eduardo Fontes ,  Henrik von Schenck ,  Ottmar Raeymaeckers ,  Philip Byrne ,  Lars Langemyr ,  Michael Frenklach

IPC分类号： G06G7/58 ,  G06F17/13 ,  G06F17/10

CPC分类号： G16C20/10 ,  G16C20/80

摘要： A system and method for generating a model for simulating systems of reacting species includes receiving reaction formulas, determining a reaction rate expression for the received reaction formulas, and generating a model for simulating systems of reacting species using the received reaction formulas and the determined reaction rate expressions. The reaction list is pruned to deactivate one or more reactions based on one or more criteria. Using a graphical user interface, the reaction formulas may be received, the generated model may be displayed, the determined reaction rate expression may be modified, the generated reaction list may be displayed, and the generated species list may be displayed. An output based on the generated model may be displayed that includes the composition and temperature dependence of the system of reacting species. Material and energy balances may be generated for the reacting species as input to a solver of partial differential equations.

摘要翻译： 用于产生用于模拟反应物质的系统的模型的系统和方法包括接收反应式，确定所接收的反应式的反应速率表达式，以及使用所接收的反应式产生用于模拟物质反应体系的模型和测定的反应速率 表达。 根据一个或多个标准修剪反应列表以停用一个或多个反应。 使用图形用户界面，可以接收反应公式，可以显示生成的模型，可以修改所确定的反应速率表达式，可以显示生成的反应列表，并且可以显示所生成的物种列表。 可以显示基于生成的模型的输出，其包括反应物种的系统的组成和温度依赖性。 可以为反应物质产生材料和能量平衡作为偏微分方程的求解器的输入。

公开(公告)号：US20070043546A1

公开(公告)日：2007-02-22

申请号：US11206919

申请日：2005-08-19

申请人： Eduardo Fontes ,  Henrik Von Schenck ,  Ottmar Raeymaeckers ,  Phillip Byrne ,  Lars Langemyr ,  Michael Frenklach

发明人： Eduardo Fontes ,  Henrik Von Schenck ,  Ottmar Raeymaeckers ,  Phillip Byrne ,  Lars Langemyr ,  Michael Frenklach

IPC分类号： G06G7/48 ,  G06G7/58

CPC分类号： G06F19/702 ,  G06F19/708

摘要： The present invention relates to a system and method for generating a model for simulating systems of reacting species comprising receiving a plurality of reaction formulas, determining a reaction rate expression for each of the received reaction formulas, and generating a model for simulating systems of reacting species using the received reaction formulas and the determined reaction rate expressions. The present invention further relates to pruning the reaction list to deactivate one or more reactions in the reaction list based on one or more criteria, such as threshold criteria. A graphical user interface may be used in connection with the present invention in various ways such that the reaction formulas may be received via a graphical user interface, the generated model may be displayed on a graphical user interface, the determined reaction rate expression may be modified via a graphical user interface, the generated reaction list may be displayed in a graphical user interface, and the generated species list may be displayed in a graphical user interface. Also, an output based on the generated model may be displayed, wherein the output displays the composition and temperature dependence of the system of reacting species. In addition, material and energy balances may be generated for the reacting species as input to a solver of partial differential equations.

摘要翻译： 本发明涉及一种用于产生用于模拟反应物质的系统的模型的系统和方法，包括接收多个反应式，确定每个所接收的反应式的反应速率表达式，并产生模拟反应物质的体系的模型 使用所接收的反应式和确定的反应速率表达式。 本发明还涉及根据一个或多个标准（例如阈值标准）修剪反应列表以使反应列表中的一个或多个反应失活。 图形用户界面可以以各种方式结合本发明使用，使得可以经由图形用户界面接收反应公式，生成的模型可以显示在图形用户界面上，所确定的反应速率表达式可以被修改 通过图形用户界面，生成的反应列表可以显示在图形用户界面中，并且所生成的物种列表可以显示在图形用户界面中。 此外，可以显示基于生成的模型的输出，其中输出显示反应物种的系统的组成和温度依赖性。 此外，可以为反应物质产生物质和能量平衡作为偏微分方程的求解器的输入。

公开(公告)号：US08219373B2

公开(公告)日：2012-07-10

申请号：US11206919

申请日：2005-08-19

申请人： Eduardo Fontes ,  Henrik von Schenck ,  Ottmar Raeymaeckers ,  Phillip Byrne ,  Lars Langemyr ,  Michael Frenklach

发明人： Eduardo Fontes ,  Henrik von Schenck ,  Ottmar Raeymaeckers ,  Phillip Byrne ,  Lars Langemyr ,  Michael Frenklach

IPC分类号： G06G7/58

CPC分类号： G06F19/702 ,  G06F19/708

摘要： A system and method for generating a model for simulating systems of reacting species comprising receiving a plurality of reaction formulas, determining a reaction rate expression for each of the received reaction formulas, and generating a model for simulating systems of reacting species using the received reaction formulas and the determined reaction rate expressions. The invention further relates to pruning the reaction list to deactivate one or more reactions in the reaction list based on one or more criteria, such as threshold criteria. A graphical user interface may also be used in connection with the present invention in various ways. An output based on the generated model may be displayed, wherein the output displays the composition and temperature dependence of the system of reacting species. Material and energy balances may also be generated for the reacting species as input to a solver of partial differential equations.

摘要翻译： 一种用于产生用于模拟反应物质的系统的模型的系统和方法，包括接收多个反应式，确定每个所接收的反应式的反应速率表达式，并且使用所接收的反应式产生模拟反应物质的体系的模型 和确定的反应速率表达式。 本发明还涉及根据一个或多个标准（例如阈值标准）修剪反应列表以停用反应列表中的一个或多个反应。 图形用户界面也可以以各种方式与本发明结合使用。 可以显示基于生成的模型的输出，其中输出显示物种反应系统的组成和温度依赖性。 材料和能量平衡也可以作为偏微分方程求解器的输入产生。

公开(公告)号：US20100301212A1

公开(公告)日：2010-12-02

申请号：US12782596

申请日：2010-05-18

申请人： Albert Dato ,  Michael Frenklach ,  Velimir Radmilovic ,  Zonghoon Lee

发明人： Albert Dato ,  Michael Frenklach ,  Velimir Radmilovic ,  Zonghoon Lee

IPC分类号： G01N23/00 ,  C01B31/02

CPC分类号： B82Y40/00 ,  B82Y30/00 ,  C01B32/184

摘要： A substrate-free gas-phase synthesis apparatus and method that is capable of rapidly and continuously producing graphene in ambient conditions without the use of graphite or substrates is provided. Graphene sheets are continuously synthesized in fractions of a second by sending an aerosol consisting of argon gas and liquid ethanol droplets into an atmospheric-pressure microwave-generated argon plasma field. The ethanol droplets are evaporated and dissociated in the plasma, forming graphene sheets that are collected. The apparatus can be scaled for the large-scale production of clean and highly ordered graphene and its many applications. The graphene that is produced is clean and highly ordered with few lattice imperfections and oxygen functionalities and therefore has improved characteristics over graphene produced by current methods in the art. The graphene that is produced by the apparatus and methods was shown to be particularly useful as a support substrate that enabled direct atomic resolution imaging of organic molecules and interfaces with nanoparticles at a level previously unachievable.

摘要翻译： 提供了一种无基板气相合成装置和方法，其能够在不使用石墨或基板的环境条件下快速且连续地生产石墨烯。 通过将由氩气和液体乙醇液滴组成的气溶胶送入大气压微波产生的氩等离子体场，连续合成石墨烯片。 将乙醇液滴蒸发并在等离子体中解离，形成收集的石墨烯片。 该设备可以缩放，用于大规模生产清洁和高度有序的石墨烯及其许多应用。 所生产的石墨烯是清洁且高度有序的，几乎没有晶格缺陷和氧官能度，因此具有比本领域当前方法生产的石墨烯更好的特性。 通过该装置和方法产生的石墨烯被证明是特别有用的支持基底，其能够以先前难以达到的水平直接原子分辨成像有机分子和与纳米颗粒的界面。