Hydroxymethylfurfural (HMF) is an organic compound that occurs naturally in many foods and is used as feedstock in numerous chemical processes. HMF can be hydrogenated to form 2,5-Dimethylfuran (DMF), which is an important component in biofuel production. To date, several kinetic models have been proposed and studied in literature for this hydrogenation reaction, including power law models based on reaction species and Langmuir-Hinshelwood-Hougen-Watson (LHHW) models. For these models a critical aspect that has not been addressed in literature is related to their practical identifiability, i.e. the estimability of kinetic parameters from experimental data. Also, none of the existing models propose a temperature dependence of the kinetic parameters.

A three-step approach is presented in this paper, which exploits model-based design of experiments (MBDoE) techniques to assess the identifiability of candidate kinetic models of HMF hydrogenation in a batch reaction system. The objective is twofold: (1) to propose new kinetic models of HMF hydrogenation where the temperature is explicitly introduced as an experimental design variable and test the practical estimability of kinetic parameters from concentration data only; (2) to identify the most informative regions of the experimental design space, defined by temperature, experiment duration and initial HMF and DMF concentrations, for achieving a precise estimation of model parameters. Together with a-posteriori statistics obtained from parameter estimation from in-silico data, an MBDoE analysis gives a clear representation of the most informative experimental conditions to be explored in the future experimentation underlining distinct areas of practical parametric identifiability.

羟甲基糠醛 (HMF) 是一种有机化合物，天然存在于许多食品中，并在许多化学过程中用作原料。HMF 可以加氢生成 2,5-二甲基呋喃 (DMF)，它是生物燃料生产中的重要成分。迄今为止，文献中已经提出并研究了该氢化反应的几种动力学模型，包括基于反应物种的幂律模型和 Langmuir-Hinshelwood-Hougen-Watson (LHHW) 模型。对于这些模型，文献中没有提到的一个关键方面与它们的实际可识别性有关，即从实验数据中可估计动力学参数。此外，没有一个现有模型提出动力学参数的温度依赖性。

本文介绍了一种三步方法，该方法利用基于模型的实验设计 (MBDoE) 技术来评估间歇反应系统中 HMF 加氢候选动力学模型的可识别性。目标是双重的：（1）提出新的 HMF 加氢动力学模型，其中温度被明确引入作为实验设计变量，并仅从浓度数据测试动力学参数的实际可估计性；(2) 确定实验设计空间中信息最丰富的区域，由温度、实验持续时间和初始 HMF 和 DMF 浓度定义，以实现对模型参数的精确估计。连同从计算机数据的参数估计中获得的后验统计，