The triplet “molecular processes–product–process” engineering: the future of chemical engineering ?

Today chemical engineering has to answer to the changing needs of the chemical and related process industries and to meet the market demands. Being a key to survival in globalization of trade and competition, the evolution of chemical engineering is thus necessary. Its ability to cope with the scientific and technological problems encountered will be appraised in this paper. To satisfy both the markets requirements for specific end-use properties of products and the social and environmental constraints of the industrial-scale processes, it is shown that a necessary progress is coming via a multidisciplinary and a time and length multiscale approach. This will be obtained due to breakthroughs in molecular modelling, scientific instrumentation and related signal processing and powerful computational tools. For the future of chemical engineering four main objectives are concerned: (a) to increase productivity and selectivity through intelligent operations via intensification and multiscale control of processes; (b) to design novel equipment based on scientific principles and new methods of production: process intensification; (c) to extend chemical engineering methodology to product focussed engineering, i.e. manufacturing and synthesizing end-use properties required by the customer, which needs a triplet “molecular processes–product–process” engineering; (d) to implement multiscale application of computational chemical engineering modelling and simulation to real-life situations, from the molecular scale to the overall complex production scale.     

Process engineering and problems encountered by chemical and related industries in the near future. Revolution or continuity?

The evolution of process engineering is reviewed and it’s ability to cope with the problems encountered by chemical and related industries is appraised. It appears that the necessary progress should come via a pluridisciplinary and multiscale approach, that will allow us to satisfy both the market requirements for specific end-use properties as well as the environmental and social constraints. In this context, an increasingly important contribution will be required from basic disciplines such as physics, physical chemistry and mathematics, mechanics and ecotoxicology.     

Process intensification aspects for steam methane reforming: An overview

Steam methane reforming (SMR) is the most widely used process in industry for the production of hydrogen, which is considered as the future generation energy carrier. Having been perceived as an important source of H₂, there are abundant incentives for design and development of SMR processes mainly through the consideration of process intensification and multiscale modeling; two areas which are considered as the main focus of the future generation chemical engineering to meet the global energy challenges. This article presents a comprehensive overview of the process integration aspects for SMR, especially the potential for multiscale modeling in this area. The intensification for SMR is achieved by coupling with adsorption and membrane separation technologies, etc., and using the concept of multifunctional reactors and catalysts to overcome the mass transfer, heat transfer, and thermodynamic limitations. In this article, the focus of existing and future research on these emerging areas has been drawn. © 2009 American Institute of Chemical Engineers AIChE J, 2009     

Mathematical modeling in chemical engineering and biotechnology

This article reviews publications in Russian journals on mathematical modeling in chemical engineering and biotechnology. The major emphasis is on crystallization, mass transfer, and dissolution in chemical engineering processes, as well as steady and unsteady states in biotechnology. Two approaches to modeling in biotechnology are considered: structured and unstructured approaches.     

化学工程发展方向

介绍了化学工程的发展方向:反应过程与分离过程的结合,多个反应过程或多个分离过程的结合,强化化学作用对分离过程的影响及优化化工动态过程。     

Model-based systems engineering approaches to chemicals and materials manufacturing

Model-based systems engineering (MBSE) is part of a long-term trend toward model-centric approaches adopted by many engineering disciplines. We establish the need of an MBSE approach by reviewing the importance, complexity, and vulnerability of the U.S. chemical supply chains. We discuss the origins, work processes, modeling approaches, and supporting tools of the systems engineering discipline (SE) and discuss limitations of the Process Systems Engineering (PSE) framework. We make the case for MBSE as a more generalizable approach. We introduce systems modeling strategies for MBSE, and a novel MBSE method that supports the automation tailored and extended to support the analysis of chemical supply chains. We demonstrate a specific use case of this method by creating a systems model for the manufacturing of an active pharmaceutical ingredient, Atropine. We conclude with a prospectus on developmental opportunities for extracting greater benefit from MBSE in the design and management of chemical supply chains.     

舞动的液滴：界面现象与过程调控

液滴动态行为的调控在包括微化工、相变传热、喷雾冷却、农药喷洒、微流控芯片等领域都具有广泛的应用。液滴润湿过程包含着复杂的固液界面现象,借助界面效应对液滴动态行为进行调控是液滴调控领域的热点方向。将围绕多尺度润湿、界面结构驱动的液滴动态行为等过程中的若干科学问题进行综述。首先介绍了多尺度表面润湿基本理论,讨论了核化过程、液滴多尺度润湿、液滴弹跳和液滴多向迁移过程及液滴撞击固体表面过程中的固液界面作用机理,并展现了液滴动态调控在相变传热、喷墨打印、农药喷洒和微流控等工业过程的调控作用、应用以及主要发展趋势和方向。     

An integrated chemical engineering approach to understanding microplastics

Environmental and health risks posed by microplastics (MPs) have spurred numerous studies to better understand MPs' properties and behavior. Yet, we still lack a comprehensive understanding due to MP's heterogeneity in properties and complexity of plastic property evolution during aging processes. There is an urgent need to thoroughly understand the properties and behavior of MPs as there is increasing evidence of MPs' adverse health and environmental effects. In this perspective, we propose an integrated chemical engineering approach to improve our understanding of MPs. The approach merges artificial intelligence, theoretical methods, and experimental techniques to integrate existing data into models of MPs, investigate unknown features of MPs, and identify future areas of research. The breadth of chemical engineering, which spans biological, computational, and materials sciences, makes it well-suited to comprehensively characterize MPs. Ultimately, this perspective charts a path for cross-disciplinary collaborative research in chemical engineering to address the issue of MP pollution.     

Membrane engineering for process intensification: a perspective

Pushed by the increasing demand for materials, energy and products, chemical engineering today faces a crucial challenge: to support a sustainable industrial growth. One possible solution is process intensification (PI), the innovative design strategy aiming to improve manufacturing and processing by decreasing the equipment size/productivity ratio, energy consumption and waste production using innovative technical solutions. Membrane processes meet the requirements of PI because they have potential to replace conventional energy‐intensive techniques, to accomplish the selective and efficient transport of specific components, and to improve the performance of reactive processes. Here, we identify the most interesting aspects of membrane engineering in some strategic industrial sectors. The opportunity to integrate conventional membrane units with innovative systems in order to exploit the potential advantages coming from their synergic applications is also emphasized. Copyright © 2007 Society of Chemical Industry     

A paradigm-based evolution of chemical engineering

A short presentation of chemical engineering evolution,as guided by its paradigms,is exposed.The first paradigm–unit operations–has emerged as a necessity of systematization due to the explosion of chemical industrial applications at the end of 19th century.The birth in the late 1950s of the second paradigm–transport phenomena–was the consequence of the need for a deep,scienti fic knowledge of the phenomena that explain what happens inside of unit operations.In the second part of 20th century,the importance of chemical product properties and qualities has become essentially in the market fights.Accordingly,it was required with additional and even new fundamental approaches,and product engineering was recognized as the third paradigm.Nowadays chemical industry,as a huge materials and energy consumer,and with a strong ecological impact,couldn't remain outside of sustainability requirements.The basics of the fourth paradigm–sustainable chemical engineering–are now formulated.     

Towards a methodology for the systematic analysis and design of efficient chemical processes: Part 1. From unit operations to elementary process functions

A successful intensification of a chemical process requires a holistic view of the process and a systematic debottlenecking, which is obtained by identifying and eliminating the main transport resistances that limit the overall process performance and thus can be considered as rate determining steps on the process level. In this paper, we will suggest a new approach that is not based on the classical unit operation concept, but on the analysis of the basic functional principles that are encountered in chemical processes.A review on the history of chemical engineering in general and more specifically on the development of the unit operation concept underlines the outstanding significance of this concept in chemical and process engineering. The unit operation concept is strongly linked with the idea of thinking in terms of apparatuses, using technology off the shelf. The use of such “ready solutions” is of course convenient in the analysis and design of chemical processes; however, it can also be a problem since it inherently reduces the possibilities of process intensification measures.Therefore, we break with the tradition of thinking in terms of “unit apparatuses” and suggest a new, more rigorous function-based approach that focuses on the underlying fundamental physical and chemical processes and fluxes.For this purpose, we decompose the chemical process into so-called functional modules that fulfill specific tasks in the course of the process. The functional modules itself can be further decomposed and represented by a linear combination of elementary process functions. These are basis vectors in thermodynamic state space. Within this theoretical framework we can individually examine possible process routes and identify resistances in individual process steps. This allows us to analyze and propose possible options for the intensification of the considered chemical process.     

绿色过程系统工程

发展从源头消除污染的绿色技术是过程工业可持续发展的必然要求,任何单元技术的突破对过程工程的绿色化都是不可或缺的。然而过程工程是一个系统科学,不仅要考虑单个技术,重点还要考虑从原料替代、介质创新到单元强化及系统集成的整个链条,归根到底是要通过新介质(如催化剂、溶剂等)的原始创新和新工艺集成创新实现过程工业的绿色化。基于系统论的科学思想综合考虑过程工程这一复杂大系统,以离子液体介质创新为核心,综述了在原料替代、新型介质设计、传递规律、系统集成方面的新进展,以期为绿色化工技术的发展提供重要的科学基础。     

Recent advances in polymer reaction engineering: Modeling and control of polymer properties

Complex reaction kinetics and mechanisms, physical changes and transport effects, non-ideal mixing, and strong process nonlinearity characterize polymerization processes. Polymer reaction engineering is a discipline that deals with various problems concerning the fundamental nature of chemical and physical phenomena in polymerization processes. Mathematical modeling is a powerful tool for the development of process understanding and advanced reactor technology in the polymer industry. This review discusses recent developments in modeling techniques for the calculation of polymer properties including molecular weight distribution, copolymer composition distribution, sequence length distribution and long chain branching. The application of process models to the design of model-based reactor optimizations and controls is also discussed with some examples. This paper is dedicated to Professor Hyun-Ku Rhee on the occasion of his retirement from Seoul National University.     

Exergy as a tool for measuring process intensification in chemical engineering

Exergy is defined as the maximum shaft work that can be done in a process to bring the system into equilibrium with the environment. Thus, exergy analyses are the first step to understand where the weak points of processes are. It considers intrinsically the quality of energy: when energy loses its quality, exergy is destroyed. In addition, optimization of processes aiming at the minimization of exergy destruction can be done as a function of the topology and physical characteristics of the system, such as finite dimensions, shapes, materials, finite speeds, and finite‐time intervals of operation, establishing a direct relationship between exergy and process intensification. However, the emphasis on exergy in chemical engineering is still very poor compared with other fields, in spite of being one of the areas in which more exergy is destroyed due to reaction and separation . This paper gives an overview of the current application of exergy analyses in chemical engineering, showing the main fields in which exergy studies are performed and focusing the attention on two critical points of action: separation technologies (distillation and membrane technology) and CO₂ capture. New research trends in chemical engineering using exergy as a tool for process intensification are highlighted. © 2013 Society of Chemical Industry     

化学工程的多层次结构

进入21世纪前后,学界将化学工程看作一种复杂系统,企图在高层次组织化学工程的知识基础,为此不断在寻找易于进入化工复杂系统研究的切入点。文章从业已见到的颗粒群在流态变化时形成的不同几何结构以及由此而开拓的多尺度分析,来揣测化学工程的其他结构,特别是面对产量少、价值高的功能材料,企图建立化工复杂系统多层次结构的研究平台。除了基于时空多尺度的化工多层次结构外,作者认为还可以考虑基于科学内涵的历史多层次结构,以及基于人力和资金投入为尺度的运转多层次结构。     

Microwave drying at various conditions modeled using the reaction engineering approach

ABSTRACT

One of the most significant process intensification schemes in drying is microwave drying. Modeling the process of microwave drying is very useful. The lumped reaction engineering approach (REA) is now coupled with appropriate equations for modeling microwave heating. Here, a slight modification of the equilibrium activation energy is needed since the product temperature is higher than the ambient temperature. Unlike the diffusion-based approach, the REA drying parameters were generated from minimum number of drying runs. It has been found that the modifications lead to excellent agreements between the predicted and experimental data. The results of modeling match well with the experimental data. The overall model is accurate to describe the moisture content and temperature profiles. Comparisons with the diffusion-based approach indicate that the REA can achieve comparable or even better agreement toward the experimental data. This exercise has demonstrated that a simple combination of the lumped reaction engineering approach and the microwave energy absorption is versatile in predicting the microwave drying process accurately; thus, this worked example will be illustrative for future needed studies.     

笼型水合物为能源化工带来新机遇

笼型水合物是利用水分子通过氢键作用构建的笼型结构对甲烷等能源气体进行存储和提取,具有高安全性、高储存容量、温和储存条件、环境友好等优点。天然气水合物是传统能源和绿色能源之间的桥梁燃料,已成为世界各国科学家竞相研究开发的热点。本文综述了笼型水合物在能源与环境、流动安全、工程应用三个方面的研究成果,涵盖了固化天然气（SNG）、CO₂捕获和气体分离、蓄冷、海水淡化、汽车燃料以及制氢与储氢等能量转换、能量储存的领域。文章指出大力发展笼型水合物衍生技术,实现提取甲烷同时捕获二氧化碳,有助于实现碳中和的目标。阐述了笼型水合物生成依赖于其自身的热力学相平衡条件、反应过程的动力学性质及传递过程强化,从生成到分解的过程主要包括溶解、成核、生长、晶裂和解吸等一系列步骤,过程的微观机理复杂。展望了利用多尺度方法研究水合物生成的微观结构、界面现象、宏观应用和作用机理,有助于扩展化学工程的原理和知识,对开发能源化工领域新材料新工艺也有裨益,从而促进能源化工的发展。     

A hybrid CFD—reaction engineering framework for multiphase reactor modelling: basic concept and application to bubble column reactors

The coupling of turbulent mixing and chemical phenomena lies at the heart of multiphase reaction engineering, but direct CFD approaches are usually confronted with excessive computational demands. In this hybrid approach, the quantification of mixing is accomplished through averaging the flow and concentration profiles resulting from a CFD flow field calculation and a computational (“virtual”) tracer experiment. Based on these results, we construct a mapping of the CFD grid into a generalised compartmental model where the chemistry calculations can be efficiently carried out. In contrast to the empirical models used in the residence time distribution (RTD) approach, the compartmental model in this methodology, owning to its CFD origins, retains the essential features of the equipment geometry and flow field. A procedure for extracting the mixing information from k-ε based CFD codes is outlined, but the main concept of the approach is not restricted to any particular type of turbulence modelling, and will therefore benefit from future developments. A phenomenological model of mass transfer and chemical reaction, based on the penetration theory, is employed to simulate the interfacial phenomena in gas-liquid reactors, and a study of CO₂ absorption into alkali solution is presented to demonstrate the method.