Generalized flow calculation of the gas flow in a network of capillaries used in gas chromatography

IF 2.8 3区 工程技术 Q2 CHEMISTRY, ANALYTICAL Journal of separation science Pub Date : 2024-08-23 DOI:10.1002/jssc.202400419
Jan Leppert, Tillman Brehmer, Peter Boeker, Matthias Wüst
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Abstract

A general method for the calculation of the flow and pressure of a gas in a network of cylindrical capillaries is presented. This method is used specifically for gas chromatographic systems in this work. With this approach, it is possible to easily calculate flow and pressures in complex gas chromatographic systems, like flow-modulated or thermal-modulated multidimensional gas chromatographic systems, or systems with multiple outlets at different pressures. A mathematic abstraction using graph theory is used to represent the system of capillaries. With this graph, the flow balance equations at the connections of the capillaries can easily be set up. Using a computer algebra system, the system of flow balance equations can be solved for the pressures at the connection points. For simple systems, this approach is presented, and calculated flows, pressures, and hold-up times are compared with measured values. In addition, two complex systems (4-Way-Splitter, Deans Switch system) of capillaries are presented with calculations only. For these systems, certain conditions were formulated, that is, a certain difference in hold-up times and a defined split ratio between different paths of these systems. Using a numeric non-linear solver, configurations of these systems were found, that fulfill these conditions.

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气相色谱法所用毛细管网络中气体流量的通用流量计算。
本文介绍了计算圆柱形毛细管网络中气体流量和压力的一般方法。在本研究中,这种方法专门用于气相色谱系统。利用这种方法,可以轻松计算复杂气相色谱系统中的流量和压力,如流量调节或热调节多维气相色谱系统,或具有多个不同压力出口的系统。使用图形理论的数学抽象来表示毛细管系统。有了这个图形,就可以很容易地建立毛细管连接处的流量平衡方程。利用计算机代数系统,可以求解连接点压力的流量平衡方程系统。对于简单的系统,我们介绍了这种方法,并将计算出的流量、压力和滞留时间与测量值进行了比较。此外,还介绍了两个复杂的毛细管系统(4 路分流器、迪恩斯斯维奇系统),但只进行了计算。对这些系统提出了一些条件,即这些系统的不同路径之间有一定的滞留时间差和确定的分流比。利用数值非线性求解器,找到了满足这些条件的系统配置。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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来源期刊
Journal of separation science
Journal of separation science 化学-分析化学
CiteScore
6.30
自引率
16.10%
发文量
408
审稿时长
1.8 months
期刊介绍: The Journal of Separation Science (JSS) is the most comprehensive source in separation science, since it covers all areas of chromatographic and electrophoretic separation methods in theory and practice, both in the analytical and in the preparative mode, solid phase extraction, sample preparation, and related techniques. Manuscripts on methodological or instrumental developments, including detection aspects, in particular mass spectrometry, as well as on innovative applications will also be published. Manuscripts on hyphenation, automation, and miniaturization are particularly welcome. Pre- and post-separation facets of a total analysis may be covered as well as the underlying logic of the development or application of a method.
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