Králik Milan, Koóš Peter, Markovič Martin, Lopatka Pavol
Institute of Organic Chemistry, Catalysis and Petrochemistry, Slovak University of Technology, Radlinského 9, 812 37 Bratislava, Slovakia.
Molecules. 2025 Aug 5;30(15):3279. doi: 10.3390/molecules30153279.
This review outlines a comprehensive methodology for the research and development of heterogeneous catalytic technologies (R&D_HeCaTe). Emphasis is placed on the fundamental interactions between reactants, solvents, and heterogeneous catalysts-specifically the roles of catalytic centers and support materials (e.g., functional groups) in modulating activation energies and stabilizing catalytic functionality. Particular attention is given to catalyst deactivation mechanisms and potential regeneration strategies. The application of molecular modeling and chemical engineering analyses, including reaction kinetics, thermal effects, and mass and heat transport phenomena, is identified as essential for R&D_HeCaTe. Reactor configuration is discussed in relation to key physicochemical parameters such as molecular diffusivity, reaction exothermicity, operating temperature and pressure, and the phase and "aggressiveness" of the reaction system. Suitable reactor types-such as suspension reactors, fixed-bed reactors, and flow microreactors-are evaluated accordingly. Economic and environmental considerations are also addressed, with a focus on the complexity of reactions, selectivity versus conversion trade-offs, catalyst disposal, and separation challenges. To illustrate the breadth and applicability of the proposed framework, representative industrial processes are discussed, including ammonia synthesis, fluid catalytic cracking, methanol production, alkyl tert-butyl ethers, and aniline.
本综述概述了多相催化技术研发(R&D_HeCaTe)的综合方法。重点在于反应物、溶剂与多相催化剂之间的基本相互作用,特别是催化中心和载体材料(如官能团)在调节活化能和稳定催化功能方面的作用。特别关注催化剂失活机制和潜在的再生策略。分子建模和化学工程分析的应用,包括反应动力学、热效应以及质量和热传递现象,被认为是R&D_HeCaTe必不可少的。结合关键物理化学参数,如分子扩散率、反应放热性、操作温度和压力以及反应体系的相态和“活性”,讨论了反应器配置。相应地评估了合适的反应器类型,如悬浮反应器、固定床反应器和流动微反应器。还讨论了经济和环境方面的考虑因素,重点关注反应的复杂性、选择性与转化率的权衡、催化剂处置以及分离挑战。为说明所提出框架的广度和适用性,讨论了代表性的工业过程,包括氨合成、流化催化裂化、甲醇生产、烷基叔丁基醚和苯胺。