Lignin is an aromatics’ natural source that can be converted into separate high value chemical compounds. Due to the highly-functionalised network structure of phenols, the mechanisms, activity and selectivity of the acid-supported transition metal rate catalyst (NiMo/Al₂O₃) for the hydrogenation, hydrodeoxygenation (HDO) and defunctionalisation of (l) phase model components (eugenol, guaiacol and 4-propylguaiacol) were investigated in this integrated experimental, characterisation and modelling study. Commercially available NiMo/Al₂O₃ intermediates exhibited strongly acidic properties that did little to promote the complete bond saturation of the allyl-benzenes to alkyl-benzenes, thermodynamically-favoured higher molecular weight compositions (e.g. dimers) formed instead, and deactivation followed. The condensation elementary steps for an independent system constituent were proposed, which is important for understanding, designing and optimizing an efficient valorisation industrial processes engineering. Interestingly, the stabilising steric hindrances of different defined representatives affected product functionality distribution, reactivity and stability. HDO promoted demethoxylation (reaction), while methoxy-phenols were more favourably de-methylated. In addition, NiMo/Al₂O₃ formulation was analysed to obtain the quantified surface, structural and morphological changes by NH₃ activation temperature-programmed desorption (TPD), energy dispersive X-ray spectroscopy (EDS) mapping, Fourier transform infrared spectroscopy–attenuated total reflection (FTIR–ATR), nanometre computed tomography (nano-CT) and physi-sorption. Adsorbed carbonaceous species reduced its physicochemical interface, decreased by acidity.

木质素是芳烃的天然来源，可以转化为单独的高价值化合物。由于酚类的高度功能化网络结构，酸负载过渡金属速率催化剂（NiMo/Al 2 O 3 _）用于_加氢、加氢脱氧（HDO）和（l）相模型去功能化的机理、活性和选择性成分（丁香酚、愈创木酚和 4-丙基愈创木酚）在这项综合实验、表征和建模研究中进行了研究。市售 NiMo/Al ₂ O ₃中间体表现出强酸性，这对促进烯丙基苯到烷基苯的完全键饱和几乎没有作用，而是形成热力学上有利的较高分子量组合物（例如二聚体），然后失活。提出了独立系统成分的冷凝基本步骤，这对于理解、设计和优化有效的增值工业过程工程具有重要意义。有趣的是，不同定义代表的稳定空间位阻影响产品功能分布、反应性和稳定性。HDO 促进脱甲氧基化（反应），而甲氧基苯酚更容易去甲基化。此外，NiMo/Al ₂ O _{3通过 NH 3}活化程序升温脱附 (TPD)、能量色散 X 射线光谱 (EDS) 映射、傅里叶变换红外光谱-衰减全反射 (FTIR-ATR)，分析配方以获得量化的表面、结构和形态变化，纳米计算机断层扫描 (nano-CT) 和物理吸附。吸附的碳质物质降低了其物理化学界面，因酸度而降低。