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首页> 外文会议>Advances in Computational Methods in Sciences and Engineering 2005 vol.4A; Lecture Series on Computer and Computational Sciences; vol.4A >Applying Response Modeling Methodology to Model Temperature-Dependency of Vapor Pressure
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Applying Response Modeling Methodology to Model Temperature-Dependency of Vapor Pressure

机译：应用响应建模方法对蒸气压的温度依赖性进行建模

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摘要

In modeling chemical properties, theory-based relationships often represent available data accurately. However, when goodness-of-fit is not satisfactory, empirical modeling is called for. Recently, a new empirical modeling methodology has been developed, denoted Response Modeling Methodology (RMM). The new approach is intended to model monotone convex relationships. In this paper we apply RMM to model the temperature dependence of vapor pressure. The resulting models are compared to well-known and widely used property correlation equations. These include the "Acceptable Models", currently recommended by DIPPR and models recommended by "Table Curve", a dedicated empirical modeling software. Recently developed methodologies for data-based comparison of models are employed to select the best model. Results show that RMM can represent satisfactorily curves of different shapes. Further research would extend the results introduced to other combinations of chemical properties and substances.
机译：在对化学性质进行建模时，基于理论的关系通常可以准确地表示可用数据。但是，当拟合优度不令人满意时，就需要经验建模。最近，开发了一种新的经验建模方法，称为响应建模方法（RMM）。新方法旨在为单调凸关系建模。在本文中，我们应用RMM对蒸气压的温度依赖性进行建模。将生成的模型与众所周知的和广泛使用的特性相关方程进行比较。这些包括DIPPR当前推荐的“可接受模型”和专用的经验建模软件“ Table Curve”推荐的模型。最近开发的用于基于数据的模型比较的方法被用来选择最佳模型。结果表明，RMM可以令人满意地表示不同形状的曲线。进一步的研究会将引入的结果扩展到化学性质和物质的其他组合。

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