基于模型的燃烧热还原度评价

IF 1 Q4 ENGINEERING, CHEMICAL

Chemical Product and Process Modeling Pub Date : 2023-04-21 DOI:10.1515/cppm-2023-0001

H. Shokrkar, S. Ebrahimi

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引用次数: 0

摘要

摘要本研究采用还原度来评价8个结构基团的燃烧热。还原度在微生物学中通常被用作计算过程反应的化学计量学的有价值的工具。还原度模型为计算燃烧热提供了一种简单、直接和单步的方法。还原度模型的预测值与键能模型的预测值吻合较好，平均误差小于2 %。此外，本研究应用的计算方法可以通过测量化学需氧量(COD)来计算其他有机化合物甚至未知化合物的燃烧热。

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Model-based evaluation of heat of combustion using the degree of reduction

Abstract In this study, the degree of reduction has been proposed to evaluate the heat of combustion in eight structural groups. The degree of reduction is commonly used in microbiology as a valuable tool to calculate the stoichiometry of process reactions. The degree of reduction model provides a simple, direct, and single-step technique for calculating the heat of combustion. The results from the degree of reduction model revealed that predicted values are in good agreement with results obtained using bond energies, with an average error of less than 2 %. Also, the computational method applied in this study can calculate the heat of combustion for other organic compounds and even unknown chemical compounds by measuring chemical oxygen demand (COD).

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来源期刊

Chemical Product and Process Modeling ENGINEERING, CHEMICAL-

CiteScore

2.10

自引率

11.10%

发文量

期刊介绍： Chemical Product and Process Modeling (CPPM) is a quarterly journal that publishes theoretical and applied research on product and process design modeling, simulation and optimization. Thanks to its international editorial board, the journal assembles the best papers from around the world on to cover the gap between product and process. The journal brings together chemical and process engineering researchers, practitioners, and software developers in a new forum for the international modeling and simulation community. Topics: equation oriented and modular simulation optimization technology for process and materials design, new modeling techniques shortcut modeling and design approaches performance of commercial and in-house simulation and optimization tools challenges faced in industrial product and process simulation and optimization computational fluid dynamics environmental process, food and pharmaceutical modeling topics drawn from the substantial areas of overlap between modeling and mathematics applied to chemical products and processes.