柱串乳化反应器模拟模型热力学函数的计算

Сеченов Павел Александрович, Рыбенко Инна Анатольевна, Цымбал Валентин Павлович
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引用次数: 0

摘要

柱串乳化反应器的模拟模型表明,温度不随反应器高度的变化而变化,且随时间的变化是一致的。对反应堆温度变化的评估需要了解在化学反应过程中吸收或释放的粒子加热所需的热量,以及热量在空间中的传播速度。计算在线状态下每个悬浮粒子的这些参数的可能性受到计算机系统运行速度的限制。为了加快计算速度,作者为所有参与反应的物质创建了这些参数的数据库。在这种情况下,焓和熵通过基于五次多项式计算的比热容来表示。多项式和相变的系数值取自参考书。本文以逻辑图的形式给出了计算粒子比焓的算法。在此基础上,开发了计算热力学函数的软件。在UML类图中展示了类之间的交互。研究提出了298 ~ 1850 K温度区间内物质的比焓和熵的计算方法。在1700 K温度下,焓值和熵值与参考值相比的变化不超过1.2%。
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The calculation of thermodynamic functions for simulation model of the column string-emulsion reactor
The simulation model of the column string-emulsion reactor previously suggested that the temperature does not change on the height of reactor and over time is consistent. The assessment of temperature changes in the reactor requires the knowledge on the amount of heat necessary to heat up the particles, absorbed or emitted in the course of chemical reactions, as well as the speed of heat transmission in space. The possibility of calculating these parameters for each floating particle in online regime is limited by the operating speed of the computer system. For accelerating the calculations, the author creates the database of these parameters for all substances involved in the reactions. In these circumstances, enthalpies and entropies were expressed in through the specific thermal capacity calculated based on the fifth degree polynomial. The coefficient values of the polynomial and phase transitions were taken from the reference books. The article provides an algorithm in form of the logic diagram for calculating the specific enthalpy of the particle. Based on the developed algorithm, the author creates the software that allows calculating thermodynamic functions. The interaction between the classes are demonstrated in the UML class diagram. The research presents the calculations of specific enthalpy and entropy for substances in the interval of temperatures of 298-1850 K. Variations of the values of enthalpy and entropy at the temperature of 1700 K compared to the reference values do not exceed 1.2 %.
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