Novel Optimization Methods for Design, Synthesis, Supply Chain, and Uncertainty of Hybrid Biomass, Coal, and Natural Gas to Liquids, CBGTL, Processes

拟议活动的智力价值：可持续能源供应的一个重大挑战是采用混合能源工艺，其原料包括可再生原材料，并改进生命周期分析。这里提出的研究的主要目标是开发新的理论、算法和计算技术，以发现和分析基于生物质、煤炭和天然气的变革性混合能源过程，这些过程以能够满足美国运输燃料需求的水平生产汽油、柴油和煤油。我们建议研究：(I)基于最有希望的备选方案的超结构表示的新型混合能源CBGTL过程的基于优化的过程综合框架，该框架将解决(A)热化学转化、(B)生化转化、(C)热、电和水集成以及(D)所产生的非凸MINLP模型的全局优化；(2)确定混合能源CBGTL工厂在美国的最佳能源供应链网络的系统框架，该框架将涉及(A)CBGTL工厂的最佳地理位置和规模，(B)不同可用原料资源(即天然气、不同类型的煤和生物质)的最佳布局和连接，以及(C)向CBGTL工厂和从CBGTL工厂运送饲料和产品的最佳交通基础设施；(3)量化不确定性在(A)原料供应和价格、(B)产量、(C)运输拓扑和成本、(D)需求概况和(E)产品价格中的作用的新方法，这将基于(1)稳健优化、(2)条件风险值、CVaR框架、(3)两阶段随机规划和(4)CVaR和稳健优化的组合；以及(4)在确定性和不确定性情况下CBGTL过程的长期和战略规划的新方法。我们期待着新的和变革性的理论、算法和计算结果以及新的方法将被开发和应用于(I)设计和合成单个新的混合能源CBGTL工艺；(Ii)在CBGTL工艺的工艺合成中整合热、电和水；(Iii)能源供应链网络的优化确定；以及(4)阐明不确定性对CBGTL各工厂及其能源供应网络的原料水平和价格、产量、运输成本和拓扑结构以及产品价格的作用和影响。拟议活动产生的广泛影响：拟议的方法有可能显著推进和改变传统的化学加工和生产，以实现可持续的未来。新型混合生物质、煤炭和天然气、CBGTL、能源流程的开发及其在能源供应网络中的部署，有可能为美国的经济增长做出重大贡献。研究和教育整合：拟议的努力将整合本科生和研究生的参与，并将包括代表不足的少数族裔和来访学生。在本科阶段，PI已经并将作为高级设计项目--混合能源工艺使用，而在研究生阶段，PI打算将研究结果纳入过程系统工程优化的研究生课程。学生将接受过程设计、模拟、综合、优化、能量、电力和水整合、生命周期分析和科学计算方面的培训。代表不足的群体：拟议的研究将扩大代表不足的群体的参与，因为它将旨在吸引研究生水平的女性和少数族裔学生以及本科初级独立和高级论文学生水平。PI在促进化学工程领域的多样性方面有着被证明的记录。他的学员具有不同的社会经济、种族和民族背景，其中包括18名女学生和博士后研究员，其中许多人现在是美国或国外的杰出研究人员和教授。目前，PI管理3名女研究生和1名女高中生。PI将继续为该项目招募代表不足的群体的努力，通过在他的研讨会访问和会议期间举行会议，并吸引初级和高级人员进行独立研究工作。分裂：拟议工作的结果将通过在国内和国际会议上的演讲、学术评论期刊出版物和已经可用的专门网站(http://helios.princeton.edu/hybrid-energy))向学术界和工业界的研究人员广泛传播，该网站将描述方法、实施和结果。我们还将免费提供所有案例研究和我们对拟议工作的实施，并创建一个便于访问的网络工具。我们还打算准备一个缓存设计案例研究，在全球范围内广泛分发。本科生和研究生将参与其准备工作。对社会的影响：拟议中的研究有可能加速发现变革性的混合能源过程，这些过程将导致可持续的生物燃料，满足美国的交通目标。

Intellectual Merit of Proposed Activity: A grand challenge in sustainable supply of energy is the introduction of hybrid energy processes with feedstocks that include renewable raw materials and improve the life cycle analysis. The primary objective of the research proposed here is to develop novel theoretical, algorithmic and computational techniques for the discovery and analysis of transformative hybrid energy processes based on biomass, coal, and natural gas that produce gasoline, diesel, and kerosene at levels that can address the United States transportation fuel demands. We propose to investigate: (i) an optimization-based process synthesis framework for novel hybridenergy CBGTL processes based on superstructure representation of the most promising alternatives that will address (a) thermochemical conversion, (b) biochemical conversion, (c) heat, power, and water integration, and (d) global optimization of the resulting nonconvex MINLP models; (ii) a systematic framework for the determination of the optimal energy supply chain network in the United States for the hybrid energy CBGTL plants that will address (a) the optimal geographic location and size of the CBGTL plants, (b) the optimal layout and connectivity of the different available feedstock resources (i.e., natural gas, different types of coal and biomass), and (c) the optimal transportation infrastructure to deliver feeds and products to and from the CBGTL plants; (iii) new approaches for quantifying the role of uncertainty in (a) feedstock availability and prices, (b) yields, (c) transportation topology andcost, (d) demand profiles, and (e) product prices, that will be based on (i) a robust optimization, (ii) a conditional value at risk,CVAR, framework, (iii) a two-stage stochastic programming, and (iv) a combination of CVAR and robust optimization; and (iv) novel approaches for the long range and strategic planning of CBGTL processes for both the deterministic and under uncertainty cases. We expect that new and transformative theoretical, algorithmic, and computational results, and novel methodologies will be developed and applied to the (i) design and synthesis of individual novel hybrid energy CBGTL processes; (ii) integration of heat, power, and water within the process synthesis of CBGTL processes; (iii) optimal determination of the energy supply chain network; and (iv) elucidation of the role and impact of uncertainty on feedstock levels and prices, yields, transportation costs and topology, and product prices for the CBGTL individual plants and their energy supply network.Broader Impacts Resulting from the Proposed Activity: The proposed approach has the potential to significantly advance and transform the traditional chemical processing and production so as to attain a sustainable future. The development of novel hybrid biomass, coal, and natural gas, CBGTL, energy processes, and their deployment in the energy supply network, has the potential to contribute significantly to the economic growth of the US.Integration of Research and Education: The proposed effort will integrate participation of undergraduate andgraduate students and will include underrepresented minorities and visiting students. At the undergraduate level, thePI has used and will use as a senior design project, hybrid energy processes, while at the graduate level, the PI intendsto incorporate the findings in a graduate course on Optimization in Process Systems Engineering. The students willreceive training in process design, simulation, synthesis, optimization, energy, power and water integration, life cycleanalysis, and scientific computation.Broaden Representation of Underrepresented Groups: The proposed research will broaden the participation of under-represented groups since it will aim at attracting female and minority students at the graduate level and the undergraduate junior independent and senior theses students level. The PI has a proven record of promoting diversity in chemical engineering. His trainees have had diverse socioeconomic, racial and ethnical backgrounds, and have included (18) female students and postdoctoral fellows many of whom are now distinguished researchers and Professors in the US or abroad. Currently, the PI supervises 3 female graduate students and 1 female high school student. The PI will continue recruiting efforts of under-represented groups for this project via meeting during his seminar visits and conferences, and attracting juniors and seniors for independent research work.Dissemination: The results of the proposed work will be broadly disseminated to researchers in academia and industry through presentations at domestic and international meetings, scholarly refereed journal publications and through an already available dedicated web site (http://helios.princeton.edu/hybrid-energy) which will describe the approaches, implementations and results. We will also make freely available all case studies and our implementations of the proposed work and create a web tool for easy access. We also intend to prepare a CACHE Design case study to be widely distributed worldwide. Undergraduate and graduate students will be involved in its preparation.Impact on Society: The proposed research has potential to accelerate the discovery of transformative hybridenergy processes that will lead into sustainable biofuels that meet the transportation targets of the United States.