Engineering Research Equipment Grant: Batch Reactor Faciltiy

经济压力正迫使化学工业减少大量商品化学品的生产，转而生产少量的精细化学品或特种化学品。这需要不同的操作模式，其中一个重要的模式是批处理。与特种化学品生产有关的过程的特点是反应物和产品之间的价格差异很大。通常一个批次生产出来的产品没有达到预期的质量，不得不被丢弃。因为产物相对于反应物的附加值很高，显著的经济效益可以从一个通用的建模和优化策略的批量过程，减少批次的数量，不符合产品质量约束。与连续过程相比，批过程具有瞬态和非线性特性。线性近似模型对连续过程很有用，但不能简单地应用，因为不存在一个可以使过程线性化的稳定状态。间歇式反应器模型的使用预测了最重要的反应物和产物的浓度变化的时间演变，为更好地理解和显著增加过程的优化提供了可能性。PI计划使用“趋势”或“灰色”模型，因为它们不依赖于过程的详细和预测模型（“白色”模型）的可用性，因为这样的模型很少可用。在这种技术中，假设一个初始模型（通常是一个非常粗糙的模型），然后利用实验结果不断更新和改进。所要求的设备，间歇式反应器，气相色谱仪（测量浓度）和用于在线计算和过程控制的计算机设备，是适合这个项目的。pi是受人尊敬的研究人员。数字设备公司在NSF补助下授予的设备上提供30%的折扣。PI已获得计算机设备的估计为40,330美元，因此使用30%的折扣和利哈伊大学1/3的成本分摊，建议从87财年资金中获得45,941美元的奖励。

Economic pressures are forcing the chemical industry to decrease production of large amounts of commodity chemicals and to move to the production of smaller amounts of fine or specialty chemicals. These require different modes of operation, an important one being batch processing. Processes related to the production of specialty chemicals are characterized by significant price differences between the reactants and the products. Often a batch does not result in making a product of the desired quality and has to be discarded. Because the added value of the product in relationship to the reactants is so high, significant economic benefits can result from a general purpose modeling and optimization strategy for batch processes that decreases the number of batches that do not meet the product quality constraints. In contrast to continuous processes, batch processes are characterized by transient and nonlinear behavior. The linear approximate models, useful for continuous processes, can not be applied simply because there does not exist a steady state about which the process can be linearized. The use of batch reactor models that predict the time evolution of the concentration changes of the most important reactants and products offers the possibility for a much better understanding and a significant increase in the optimization of the process. The PI's plan to use "Tendency" or "Gray" models, because they do not depend upon the availability of a detailed and predictive model of the process ("White" model) as such models are very rarely available. In this technique an initial model is postulated (often a very crude one) and is successively updated and improved using experimental results. The equipment requested, a batch reactor, a gas chromotograph (to measure concentrations) and computer equipment for on line calculations and control of the process, are appropriate for the project. The PIs are respected researchers. Digital Equipment Corporation offers a 30% discount on equipment awarded under NSF grants. The PI has obtained an estimate of $40,330 for the computer equipment, therefore using the 30% discount and 1/3 cost share by Lehigh University an award of $45,941 out of FY87 funds is recommended.