Methodik zum integrierten Entwurf von Fluiden und Prozessen mit PC-SAFT

使用 PC-SAFT 进行流体和过程集成设计的方法

基本信息

批准号：
272475028
负责人：
Professor Dr.-Ing. André Bardow
金额：
--
依托单位：
Institut für Technische Thermodynamik und Thermische Verfahrenstechnik (ITT)
依托单位国家：
德国
项目类别：
Research Grants
财政年份：
2015
资助国家：
德国
起止时间：
2014-12-31 至 2019-12-31
项目状态：
已结题

来源：
https://gepris.dfg.de/gepris/projekt/272475028?language=en
关键词：
Methodik zum integrierten Entwurf von

项目摘要

Fluid mixtures are a key to many processes in energy and chemical engineering, e.g., solvents for CO2 absorption or working fluids for heat pumps and Organic Rankine Cycles. Herein, the overall optimal process performance is determined by the match of mixture and process. In the first funding period of this project, we developed a method for the integrated thermo-economic design of process and pure component, the so-called 1-stage Continuous-Molecular Targeting-Computer-aided Molecular Design (1-stage CoMT-CAMD) approach. Based on this work, the aim of the proposed funding period is a method for the integrated design of processes and mixtures. The underlying basis of 1-stage CoMT-CAMD is property prediction by a consistent thermodynamic model. We here use the PC-SAFT equation of state. In the first funding period, PC-SAFT-based models have been established to predict viscosities and thermal conductivities of pure components as well as viscosities of mixtures. In the proposed funding period, the PC-SAFT equation of state will be extended to the prediction of thermal conductivities of mixtures and self-diffusion coefficients. Since transport properties of mixtures are relevant not only within the scope of this project, the extension of PC-SAFT can be seen as a project goal in its own right. The extension of the 1-stage CoMT-CAMD approach to the integrated design of mixture and process will be first investigated for thermodynamic designs. In a second step, the models for the prediction of mixtures transport properties and the equipment design will be incorporated. Thereby, an integrated thermo-economic design of process and mixture will be enabled. The integrated design will be developed for the example of an Organic Rankine Cycle.

流体混合物是能源和化学工程中许多过程的关键，例如二氧化碳吸收溶剂或热泵和有机朗肯循环的工作流体。这里，总体最佳工艺性能由混合物和工艺的匹配决定。在该项目的第一个资助期间，我们开发了一种工艺和纯组分的综合热经济设计方法，即所谓的1阶段连续分子靶向计算机辅助分子设计（1阶段CoMT-CAMD））方法。基于这项工作，拟议资助期的目标是一种工艺和混合物综合设计的方法。 1-stage CoMT-CAMD 的根本基础是通过一致的热力学模型进行性能预测。我们在这里使用 PC-SAFT 状态方程。在第一个资助期间，建立了基于 PC-SAFT 的模型来预测纯组分的粘度和热导率以及混合物的粘度。在拟议的资助期内，PC-SAFT状态方程将扩展到混合物热导率和自扩散系数的预测。由于混合物的传输特性不仅与该项目的范围相关，因此 PC-SAFT 的扩展本身就可以被视为一个项目目标。将首先针对热力学设计研究将 1 阶段 CoMT-CAMD 方法扩展到混合物和过程的集成设计。第二步，将纳入混合物传输特性预测和设备设计的模型。从而，将能够实现工艺和混合物的综合热经济设计。集成设计将以有机朗肯循环为例进行开发。