Abstract: In the background of global energy/resources shortage, alternative energy and new chemical processes are proposed, which are, however, not quantitatively and comprehensively evaluated, neither for long-term effect on the industrial sector and resources supply chain, nor for social development and ecological environment.We review advances in modeling, simulation, optimization, and integration of resource/energy chemical processes in recent years.The objective is to provide industry and decision makers with profound understanding of co-benefits and unintended impacts of the large-scale deployment of various process technologies on environment and resources in a life cycle perspective.By establishing life cycle models from feedstock, production, market, to recycling, integrated approaches are explored to evaluate the efficiency and sustainability of alternative processes.Furthermore, these approaches aim to rationalize and optimize flow-sheeting, reduce investment and operating costs, raise efficiency and minimize environmental impacts. Coal gasification syngas centered energy/chemical product chains are taken as the base cases. Multi-dimensional "technical-economical-environmental-societal" models are built, simulated, and optimized. Mass and exergy flow diagram, life cycle inventory, sustainability indicators are established.Resource/energy utilization efficiency, environmental impact, and economic benefits are quantitatively evaluated.Finally, a platform to support the life cycle analysis and decision-making is constructed for process evaluation, integrated innovation and optimization of existing and potential alternative energy/chemical processes.

Key words: resource/energy, chemical product chain, optimization, life cycle assessment, sustainability

摘要： 在资源和能源日趋紧缺的背景下,开拓替代能源和新的化工产品技术路线势在必行。然而,目前对各种新技术方案的基础数据和系统分析比较薄弱,对产业布局和生态环境的长期影响有待深入研究。对近年来研究资源/能源化工复杂系统的建模、模拟、结构优化和系统集成问题的进展进行综述,运用过程系统投入产出分析的理论和方法,建立化工产品技术路线的全生命周期分析模型与集成的框架平台,研究资源、能源、技术、经济、环境等多因素综合优化评价问题。以煤气化合成气衍生的煤化工系统为基础案例,专门论述了在产品路线规划和过程合成中,集成优化、全生命周期评价和可持续性的研究进展。目标在于推进"技术—经济—环境—产业发展"多属性、多目标、多尺度系统集成的基础理论研究和技术创新。

关键词: 资源/能源, 化工产业链, 系统结构优化, 全生命周期分析, 可持续性研究