CAREER: Multi-scale modeling and analysis of reactive granulation processes

1350152 - ramachandran本提案的总体目标是围绕粒子技术和过程系统工程（PSE）的接口开发一个综合研究和教育计划。粒子技术和PSE领域往往是异步的，它们之间的相互作用和接口有限。从研究的角度来看，PSE主要只应用于化学、生物和能源系统证明了这一点。从教育的角度来看，学生通常接受PSE或粒子技术方面的培训，这两个领域的培训重叠有限。这些因素促使人们需要一种新的研究和教育范式，称为微粒过程系统工程（PPSE）。PPSE代表了一种系统工程方法来理解和设计多尺度颗粒过程，以实现其在基于颗粒的工业中的整体实际应用。在这一主题下，本提案的总体研究目标是定量理解、设计和优化材料性能、工艺参数、化学反应和传输现象之间的相互作用，以预测一类反应性颗粒工艺（称为反应性造粒）中颗粒材料的产品性能。教育目标旨在整合该项目的研究成果，灌输一种结合评估和评估的方法，使毕业生掌握微粒技术和PSE的界面，重点是：1)在高级设计课程中纳入PPSE的各个方面；2)通过外展活动提高对PPSE的认识。智力优势：该提案旨在研究反应性造粒过程中具有挑战性的多尺度方面，并与高性能计算和优化策略协同集成，使多尺度模型能够被工业公司实际用于造粒过程的设计和规模化优化。该项目将有助于更好地科学理解化学反应与颗粒润湿之间的耦合关系，以及跨多个长度和时间尺度的不同模型和模型形式的系统集成。这项工作还应导致定量方法，以优化操作工业造粒过程的规模。PI希望该项目能够取得关键进展，弥合PSE和颗粒技术之间的差距，从而产生适用于其他基于颗粒的多尺度系统（例如结晶，聚合）的新知识和方法，从而促进对其他基于颗粒的工业制造操作的科学理解。更广泛的影响：这些研究结果可用于提高许多行业（例如食品，制药，消费品）的效率，盈利能力和可持续性，这些行业处理造粒过程来制造他们的产品，从而直接影响美国经济。项目期间开发的代码和问题解决方案库将通过erc - sop pharmaHUB制药工程与科学工程虚拟组织提供给该领域的其他研究人员使用（和改进），该组织具有易于使用的资源共享界面。研究成果也将整合到高级设计课程中，创建一个PPSE轨道，以更好地培养毕业学生在工艺设计和微粒工艺优化方面的能力。这是除了大学预科（DSI/GSET RU项目）和大一(RU Byrne？利用他的研究成果，建立了一个管道，以激励学生在大二到大四期间完成荣誉论文（RU Slades学者计划），从而使新泽西州附近的众多基于颗粒的行业受益，因为学生毕业时在该领域的技能得到了提高。这将与通过RU教学进步和评估中心进行的评估和评估相结合，以监测学生，项目和雇主的成果，以持续改进拟议的教育计划。与英国谢菲尔德大学（在粒子技术方面享有国际声誉）拟议的国际合作也将使参与该项目的研究生受益，因为他们与学者和工业专家互动，并直接接触到最先进的大型设备。长期的社会效益涉及提高生产操作，降低基于微粒的药品和消费品的成本。

1350152 - RamachandranThe overall goal of this proposal is to develop an integrated research and educational program centered around the interface of Particle Technology and Process Systems Engineering (PSE). The fields of particle technology and PSE are often asynchronous with limited interactions and inter- facing between them. From a research perspective, this is evidenced by the application of PSE to primarily only chemical, biological and energy systems. From an educational perspective, students are typically trained in either PSE or particle technology with limited overlap in training between the two fields. These factors motivate the need for a new research and educational paradigm termed Particulate Process Systems Engineering (PPSE). PPSE represents a systems engineering approach to the understanding and design of multi-scale particulate processes for their overall practical application in particulate-based industries. Within this theme, the overall research objective of this proposal is to quantitatively understand, design and optimize the interactions between material properties, process parameters, chemical reaction and transport phenomena to predict product performance of particulate materials for a class of reactive-particulate processes known as reactive granulation. The educational aims are designed to integrate the research findings of this project to instill a methodology combined with assessment and evaluation to equip graduating students at the interface of particulate technology and PSE focusing on 1) incorporating aspects of PPSE in the senior design course and 2) raising awareness of PPSE via outreach activities.Intellectual merits: The proposal is aimed at studying the challenging multi-scale aspects of reactive granulation processes and is synergistically integrated with high-performance computing and optimization strategies to enable the multi-scale model to be practically utilized by industrial companies for granulation process design and optimization at scale-up. The project should result in better scientific understanding of the coupling between chemical reaction and particle-wetting, and the systematic integration of different models and model forms across multiple lengths and time scales. The work should also lead to a quantitative methodology to optimally operate industrial granulation processes at scale-up. The PI expects this project to yield key advances that bridge the gap between PSE and particle technology, resulting in new knowledge and methodologies applicable to other particulate-based multi-scale systems (e.g. crystallization, polymerization), enabling the advancement of scientific understanding in other particulate-based industrial manufacturing operations.Broader impacts: These research findings could be used to enhance the efficiency, profitability and sustainability of many industries (e.g. food, pharmaceutical, consumer goods) that deal with granulation processes to manufacture their products, thus directly impacting the U.S. economy. Codes and a library of solutions to problems developed during the project will be made available for other researchers in the field to use (and improve upon) via the ERC-SOPs pharmaHUB Engineering Virtual Organization for Pharmaceutical Engineering and Science, which has an easy-to-use interface for resource sharing. Research findings will also be integrated into the senior design course creating a PPSE track to better train graduating students in process design and optimization of particulate processes. This is in addition to pre-college (DSI/GSET RU programs) and freshman (RU Byrne?s seminar series) outreach by the PI using his research findings to create a pipeline in place to motivate students to do an honors thesis (RU Slades scholars program) in their sophomore to senior year, thus benefiting the numerous particulate-based industries in the NJ vicinity, as the students graduate with enhanced skills in this field. This will be combined with assessment and evaluation via the RU Center for Teaching Advancement and Assessment to monitor student, program and employer outcomes, for continued improvement of proposed educational initiatives. Proposed international collaboration with The University of Sheffield, UK, (which is internationally renowned in particle technology) will also benefit graduate students involved in this project as they interact with academics and industrial experts and have direct access to state-of-the-art large-scale equipment. Longer term societal benefits relate to enhanced manufacturing operations that lower costs of particulate-based medicinal drugs and consumer goods.