气-液-固浆态煤液化反应体系模型化及数值模拟

Coal liquefaction, known as coal-to-liquid (CTL) technology, has gained substantial progress as one of efficient clean coal technologies, and as a strategic resolution for national energy security. This general program research project will produce a computational simulation tool that is urgently needed to overcome the physical/ or engineering limits in the design and scale-up of coal liquefaction plants. The project will start with the development and implementation of a series of multiphase physics and chemistry models for the description of gas-liquid-solid slurry reacting systems. These models include the turbulence closure of gas-liquid bubbly flow, bubble coalescence and breakup, multiphase transport, multiphase chemical reaction kinetics and their interactions with the turbulence flow. A generalized coal liquefaction kinetic model will be developed to address the multi-component chemical reactions under the condition of high pressure and high temperature. Upon algorithm optimization and benchmarking against small scale cold/hot physical model experiments, a complex gas-liquid-solid reacting flow problem of industrial coal liquefaction will be simulated computationally. Validation studies will include quantitative analysis of bench-scale cold prototype flow model and hot coal liquefaction reactor.

开发以煤炭为基础的清洁能源技术，以煤代替石油，生产各种油品和化学品，是充分利用煤炭资源的根本途径,也是保障我国能源安全性的战略选择。在各种煤转化技术中，煤液化技术是国内煤化工领域的开发热点，其工业化应用已经初步成功。本项目以气-液-固浆态煤液化反应体系为研究对象，以表征和模拟煤加氢裂解反应器内多尺度/多相/多组分间的复杂传递过程及其与化学反应的耦合为主要突破口，研究气-液-固多相流体动力学和相间传递规律，构建煤液化反应动力学模型，开发气-液-固浆态煤液化反应器的计算机仿真模型，从而为煤液化过程设计和开发、反应器放大和工艺优化提供有效的工具。与此同时，通过广泛的数值实验和精心设计的冷态/热态试验，分析和评价计算机仿真模型的有效性和数值方法的可靠性。

煤的直接与间接液化是重要的清洁能源技术，也是国内煤化工领域的开发热点。随着近年来石油价格波动，以煤为原料的煤化工企业面临较大的设备投资和节能减排压力，对煤炭加氢与化学品合成装置的优化设计和运行提出更高的要求。本项目以煤化工领域典型的气-液-固浆态应体体系为研究对象，以表征和模拟气液鼓泡反应器内的复杂传递过程及其与化学反应的耦合为主要突破口，研究气-液-固多相流体动力学和相间传递规律，构建煤液化反应动力学模型，开发了气-液-固浆态煤液化反应器的计算机仿真模型。通过数值实验和冷态/热态试验，确立了模型的有效性和可靠性；尝试将模型应用到煤的直接液化和间接液化反应器案例的模拟分析，初步证明其能够为气液鼓泡反应器设计放大和工艺优化提供有效的工具。