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

拟议活动的知识价值：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，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，这些过程可以生产汽油，柴油和煤油，以满足美国运输燃料的需求。我们建议调查：（i）基于最有希望的替代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，其将解决（a）热化学转化，（B）生化转化，（c）热、电和水集成，以及（d）所得到的非凸MINLP模型的全局优化;（ii）为混合能源CBGTL工厂确定美国最佳能源供应链网络的系统框架，该框架将解决（a）CBGTL工厂的最佳地理位置和规模，（B）不同可用原料资源的最佳布局和连通性（即，天然气、不同类型的煤和生物质），以及（c）最佳的运输基础设施，以将进料和产品运送到CBGTL工厂和从CBGTL工厂运送;（iii）量化（a）原料供应和价格，（B）产量，（c）运输布局和成本，（d）需求概况，以及（e）产品价格中不确定性作用的新方法，该方法将基于（i）稳健的优化，（ii）一个有条件的风险值，CVAR，框架，（iii）一个两阶段的随机规划，和（iv）CVAR和鲁棒优化的组合;和（iv）新方法的长期和战略规划的CBGTL过程的确定性和不确定性的情况下。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和应用于（i）设计和合成的个别新的混合能源CBGTL过程;（ii）集成的热，电，和水的CBGTL过程中的过程合成;（iii）最佳的能源供应链网络的确定;以及（iv）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。所提出的方法有可能大大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。研究与教育的整合：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的研究生课程中。学生将接受过程设计、模拟、综合、优化、能源、电力和水集成、生命周期分析和科学计算方面的培训。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，因为它的目的是吸引研究生一级的女性和少数民族学生以及本科生初级独立和高级论文学生。PI在促进化学工程多样性方面有着良好的记录。他的学员有不同的社会经济，种族和民族背景，并包括（18）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监督3名女研究生和1名女高中生。PI将继续通过在研讨会访问和会议期间的会面为该项目招募代表性不足的群体，并吸引大三学生和大四学生进行独立研究工作。拟议工作的结果将通过在国内和国际会议上的介绍向学术界和工业界的研究人员广泛传播，学术参考期刊出版物并通过已经可用的专门网站（http：//helios.princeton.edu/hybrid-energy）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。我们还打算准备一个CACHE设计案例研究，以广泛分布在世界各地。对社会的影响：拟议的研究有可能加速发现变革性的混合能源过程，这将导致可持续的生物燃料，满足美国的运输目标。

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.