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首页> 外文期刊>International Journal of Heat and Mass Transfer >A numerical study on the thermal conductivity of H_2O/CO_2/H_2 mixtures in supercritical regions of water for coal supercritical water gasification system
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A numerical study on the thermal conductivity of H_2O/CO_2/H_2 mixtures in supercritical regions of water for coal supercritical water gasification system

机译：煤超临界水气化系统中H_2O / CO_2 / H_2混合物在水超临界区热导率的数值研究

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摘要

Coal gasification technology is an important means of clean coal utilization. In the process of coal supercritical water gasification, H2O/CO2/H-2 or H2O/CO2 mixtures can be produced and used as the working medium for thermodynamic cycle power generation systems. The thermal conductivity of H2O/CO2/H-2 or H2O/CO2 mixtures is one of the most fundamental thermal properties required for the design and optimization of a thermodynamic system based on coal supercritical water gasification. Thus far, the thermal conductivity of H2O/CO2/H-2, H2O/CO2, and H2O/H-2 mixtures in supercritical regions of water remains unknown. In this paper, the thermal conductivity of these mixtures in supercritical regions of water is predicted by equilibrium molecular dynamics (EMD) simulation and various theoretical models. The force field models and simulation strategies for the MD model are discussed and recommended. To validate the simulation method, the thermal conductivity of pure H2O, CO2, H-2 and CO2/H-2 mixtures is calculated by MD simulations and compared with available experimental and NIST data. The method and data provided in this article may facilitate the practical applications of coal supercritical water gasification. (C) 2019 Elsevier Ltd. All rights reserved.
机译：煤气化技术是清洁煤利用的重要手段。在煤超临界水气化过程中，可以生产H2O / CO2 / H-2或H2O / CO2混合物，并将其用作热力循环发电系统的工作介质。 H2O / CO2 / H-2或H2O / CO2混合物的热导率是设计和优化基于煤超临界水气化的热力学系统所需的最基本的热特性之一。到目前为止，在水的超临界区域中H2O / CO2 / H-2，H2O / CO2和H2O / H-2混合物的热导率仍然未知。在本文中，通过平衡分子动力学（EMD）模拟和各种理论模型来预测这些混合物在水的超临界区域的热导率。讨论并推荐了MD模型的力场模型和仿真策略。为了验证该模拟方法，通过MD模拟计算了纯H2O，CO2，H-2和CO2 / H-2混合物的热导率，并将其与可用的实验和NIST数据进行了比较。本文提供的方法和数据可以促进煤超临界水气化的实际应用。 （C）2019 Elsevier Ltd.保留所有权利。

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