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，转向生产数量较少的精细或特种化学品。这些需要不同的操作模式，其中一个重要的模式是批处理。与特种化学品生产相关的过程的特点是反应物和产品之间的价格差异很大。通常情况下，一批产品不能生产出所需质量的产品，因此必须报废。由于产品相对于反应物的附加值如此之高，因此针对间歇过程的通用建模和优化策略可以减少不满足产品质量约束的批次数量，从而产生显著的经济效益。与连续过程不同，间歇过程具有暂态和非线性行为的特点。对于连续过程有用的线性近似模型不能简单地应用，因为不存在关于过程可以线性化的稳态。间歇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，为更好地理解和显着提高工艺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性模型(“白色”模型)的可用性，因为此类模型很少可用。在这种技术中，初始模型是假设的(通常是非常粗糙的模型)，并使用实验结果连续更新和改进。所需的设备、间歇反应器、气体色谱仪(用于测量浓度)和用于在线计算和控制该过程的计算机设备都适用于该项目。PI是受人尊敬的研究人员。Digital Equipment Corporation为根据NSF赠款授予的设备提供30%的折扣。国际和平研究所获得的计算机设备估计费用为40,330美元，因此，利用利哈伊大学30%的折扣和三分之一的费用份额，建议从87财年资金中拨款45,941美元。

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.