An Integrated Framework for Greener Solvent Selection and Solvent Recycling under Uncertainty

化学加工工业（CPI）产生的废溶剂不仅需要资金进行分离、去除和处理，而且不去除的溶剂会恶化环境质量。 溶剂回收成本高，确定最佳分离顺序是一个复杂的工艺综合问题。 该研究项目是一个耦合的溶剂选择（涉及“产品设计”和化学合成）和溶剂回收（“工艺设计”）的方法，以防止污染和绿色工艺。 将化学合成与过程合成相结合以改善环境和经济性能，提出了一个具有挑战性的多个相互冲突的目标的数学问题，具有组合爆炸的替代品和不确定性。 该项目的重点是开发一个有效的多目标优化（MOP）框架下的不确定性，同时集成周围的商业白杨模拟器。 这个框架是基于多目标，离散/连续优化，和不确定性分析的算法。 多目标优化框架将提供一组非主导设计，其中一个目标的进一步改进将以牺牲另一个目标为代价。 在有大量可取和重要的目标，例如人类健康和生命、环境影响和工厂灵活性，而这些目标又不容易转化为美元的情况下，这是很有价值的。 该框架还将有助于解决目标难以量化以及缺乏数据或数据不准确的问题。广泛影响除了对环境的明显重要性外，该项目还将使代表性不足的群体受益，因为公共信息计划将妇女作为参与该项目的目标，并正在与波多黎各大学/马亚圭斯大学合作。 PI是女性工程师协会（SWE）的教师顾问，也是女性科学与工程（WISE）计划的导师。

ResearchWaste solvents from the chemical process industries (CPI) are not only financially costly because funds are needed for separation, removal and disposal, but what is not removed deteriorates environmental quality. Solvent recycling is costly and determining optimal separation sequences is a complex process synthesis problem. This research project is a coupled solvent selection (which involves "product design" and chemical synthesis) and solvent recycling ("process design") approach to pollution prevention and greener processes. Integrating chemical synthesis with process synthesis to improve environmental and economic performance poses a challenging mathematical problem of multiple conflicting objectives, with a combinatorial explosion of alternatives and uncertainties. This project focuses on the development of an efficient multiobjective optimization (MOP) framework under uncertainty for this simultaneous integration around the commercially available ASPEN simulator. This framework is based on algorithms for multiobjective, discrete/continuous optimization, and for uncertainty analysis. The multiobjective optimization framework will provide a set of non-dominant designs where further improvements for one objective will be at the expense of another. This is valuable in a situation where there are a large number of desirable and important objectives, which are not easily translated into dollars: for example, human health and life, environmental impacts and plant flexibility. The framework will also be useful to solve problems where objectives are difficult to quantify, and when there is a lack of data or the data is inaccurate.Broad ImpactBesides the obvious importance to the environment, the project will also benefit underrepresented groups as the PI plans to target women for participation in the project and is collaborating with the University of Puerto Rico/Mayaguez. The PI is a faculty advisor for the Society of Women Engineers (SWE) and a mentor in the Women in Science and Engineering (WISE) program.