EAGER: Nano-particle Coagulation Dynamics in Rapidly Dilating Solvents

1037733Rosner1.项目概要：在过去的几个月里，我们发现，所有最近的实验和建模工作生产有价值的药物粉末（胰岛素，抗生素，抗病毒药物，可的松，...）没有利用甚至没有考虑到一个相当基本的现象，这可能导致非常重要的未来产品/工艺改进。我们的初步计算表明，如果足够小的溶剂液滴可以喷入超临界CO2“反溶剂？“随后的膨胀率实际上足够大，可以显着降低凝结速率常数，并缩小这种不寻常的颗粒处理环境中沉淀颗粒的PSD！EAGER计划目标：这个为期1年的早期概念/探索性研究（EAGER）资助申请的目的是使我们能够立即探索/评估这个令人兴奋的新研究方向。 世界上许多其他小组（通常与化学系有关）中没有一个甚至考虑过这种有趣的耦合类型[在均匀动力学和流体变形率之间]，更不用说使用更先进的注射器生产药物颗粒的可能实际影响-即，生产更小的溶剂液滴直径（约100微米）。智力上的优点：我们对这一潜在的变革性发现进行了简短的初步定量描述，沿着我们的初步计算已经证明了其显著的PSD后果。目前的EAGER计划将使我们能够立即将这一初步发现发展为更通用的过程建模方法，甚至能够包括其他潜在重要类型的溶剂非均匀性的影响（例如，空间梯度）对凝结速率常数的影响，包括净颗粒电荷和流体温度不均匀性的影响。因为我们不寻常的跨学科背景（包括化学工程，流体物理，机械工程和航空工程），我们在一个独特的位置，以调查这一令人兴奋的新一类的可能性，然后继续前进（通过3年的后续NSF/CBET赠款），以改善有吸引力的超临界流体颗粒处理环境的其他几个关键方面的建模。更广泛的影响：这项工作的智力和经济影响，通过其对未来建模工作的影响，在许多SCF为基础的行业（制药、催化剂合成、高能材料、食品技术）已经在利用超临界流体可能是非常重要的-特别是由于我们的大学讲座、在国际会议上的演讲（2010 IAC和AIChE）和大学，临时专利公开，当然还有我们的档案出版物，

1037733Rosner1. PROJECT SUMMARY: During the last few months, we have discovered that all recent experimental and modeling work on the production of valuable pharmaceutical powders (insulin, antibiotics, anti-virals, cortisones,..) was not exploiting or even taking into account a rather basic phenomenon that could lead to very significant future product/process improvements. Our preliminary calculations revealed that if sufficiently small solvent droplets could be sprayed into supercritical CO2 "anti-solvent?" the ensuing dilation rate would actually be large enough to dramatically reduce the coagulation rate constant and narrow the PSD of precipitating particles in this unusual particle processing environment!EAGER Program Objectives: The purpose of this 1-year Early Concept/Exploratory Research(EAGER) Grant application to NSF-CBET is to enable our immediate exploration/evaluation of this exciting new research direction. Not one of the many other groups worldwide (often affiliated with Chemistry departments) has even considered this interesting type of coupling [between homogeneous kinetics and fluid deformation rate], not to mention the possible practical implications for pharma particle production using more advanced injectors---ie, producing smaller solvent droplet diameters (ca. sub 10-micron) to exploit these predicted benefits.Intellectual Merit: Our brief initial quantitative account of this potentially transformative discovery, along with our preliminary calculations already demonstrating its remarkable PSD-consequences. This present EAGER Program will allow us to immediately develop this initial discovery into a more general process modeling approach, even enabling inclusion of the effects of other potentially important types of solvent non-uniformities (eg., spatial gradients) on coagulation rate constants, including the effects of net particle charge and fluid temperature non-uniformity.Uniqueness of Approach: Because of our unusual interdisciplinary backgrounds (embracing ChE, Fluid Physics, Mech E, and AeroE) we are in a unique position to investigate this exciting new class of possibilities, and then move on (via a 3-year follow-on NSF/CBET Grant) to improve the modeling of several other key aspects of the attractive supercritical fluid particle processing environment. Broader Impacts: The intellectual and economic impact of this work via its effect on future modeling efforts in the many SCF-based industries (pharma-, catalyst synthesis, energetic materials, food technologies,) already exploiting supercritical fluids is likely to be very significant----especially as a result of our university lectures, talks at international conferences (2010 IAC, and AIChE) and universities, provisional patent disclosure, and, of course, our archival publications,