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引入混合能源过程，其中包括可再生原料和改进生命周期分析。本文提出的研究的主要目标是开发新的理论、算法和计算技术，用于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，这些混合能源生产的汽油、柴油和煤油的水平可以满足美国运输燃料的需求。我们建议研究：(i)基于最有希望的替代方案的上层结构表示的基于优化的新型混合能源CBGTL过程综合框架，该框架将解决(a)热化学转换，(b)生化转换，(c)热，电和水集成，以及(d)所得到的非凸MINLP模型的全局优化；（ii）确定美国混合能源CBGTL工厂的最佳能源供应链网络的系统框架，该网络将解决(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）的最佳布局和连通性，以及(c)向CBGTL工厂运送饲料和产品的最佳运输基础设施；（iii）量化不确定性在(a)原料可用性和价格、(b)产量、(c)运输拓扑和成本、(d)需求状况和(e)产品价格中的作用的新方法，这些方法将基于(i)稳健优化、（ii）有条件的风险值、CVAR、框架、（iii）两阶段随机规划和（iv） CVAR和稳健优化的结合；（iv）针对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。我们期望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并应用于(i)单个新型混合能源CBGTL过程的设计和合成；（ii）在CBGTL工艺合成过程中整合热、电和水；（三）能源供应链网络的最优确定；（iv）阐明不确定性对CBGTL单个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。拟议活动产生的更广泛影响：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，从而实现可持续的未来。新型混合生物质、煤和天然气、CBGTL、能源过程的发展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。研究和教育的整合：提议的努力将整合本科生和研究生的参与，并将包括代表性不足的少数民族和访问学生。在本科阶段，PI已经使用并将使用混合能源过程作为高级设计项目，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研究生课程。学生将接受工艺设计、仿真、综合、优化、能源、电力和水集成、生命周期分析和科学计算等方面的培训。扩大代表性不足群体的代表性：拟议的研究将扩大代表性不足群体的参与，因为它将旨在吸引研究生水平的女性和少数民族学生以及本科、初级独立和高级论文学生。PI在促进化学工程的多样性方面有着良好的记录。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，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指导3名女研究生和1名女高中生。PI将通过研讨会访问和会议期间的会议，继续为该项目招募代表性不足的群体，并吸引大三和大四学生进行独立研究工作。传播：拟议工作的结果将通过在国内和国际会议上的介绍、学术评审期刊出版物和一个已经可用的专门网站（http://helios.princeton.edu/hybrid-energy）广泛传播给学术界和工业界的研究人员，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，并创建一个易于访问的网络工具。我们还打算准备一份CACHE设计案例研究报告，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：拟议的研究有可能加速发现变革性混合能源过程，从而产生符合美国运输目标的可持续生物燃料。

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.