Equation-oriented modeling, simulation, and optimization of integrated and intensified process and energy systems

Process intensification, defined as unconventional design and/or operation of processes that results in substantial performance improvements, represents a promising route toward reducing capital and operating expenses in the chemical/petrochemical process industry, while simultaneously achieving improved safety and environmental performance. In this dissertation, intensification is approached from three different angles: reactor design and control, process flowsheet design and optimization, and production scheduling and control. In the first part of the dissertation, three novel concepts for improving the controllability of intensified microchannel reactors are introduced. The first concept is a latent energy storage-based temperature controller, where a phase change material is confined within the walls of an autothermal reactor to improve local temperature control. The second concept is a segmented catalyst layer which modulates the rate of heat generation and consumption along the length of an autothermal reactor. Finally, the third concept is a thermally actuated valve, which uses small-scale bimetallic strips to modulate flow in a microchannel reactor in response to temperature changes. The second part of the dissertation introduces a novel framework for equation-oriented flowsheet modeling, simulation and optimization. The framework consists of a pseudo-transient reformulation of the steady-state material and energy balance equations of process unit operations as differential-algebraic equation (DAE) systems that are statically equivalent to the original model. I show that these pseudo-transient models improve the convergence properties of equation-oriented process flowsheet simulations by expanding the convergence basin in comparison to conventional steady state equation-oriented simulators. A library of pseudo-transient unit operation models is developed, and several case studies are presented. Models for more complex unit operations such as a pseudo-transient multistream heat exchanger and a dividing-wall distillation column are later introduced, and can easily be included in the flowsheet optimization framework. In the final part of the dissertation, a paradigm for calculating the optimal production schedule in a fast changing market situation is introduced. This is accomplished by including a model of the dynamics of a process and its control system into production scheduling calculations. The scheduling-relevant dynamic models are constructed to be of lower order than a detailed dynamic process model, while capturing the closed-loop behavior of a set of scheduling-relevant variables. Additionally, a method is given for carrying out these production scheduling calculations online and in "closed scheduling loop,"' i.e., recalculating scheduling decisions upon the advent of scheduling-relevant process or market events. An air separation unit operating in a demand response scenario is used as a representative case study.Chemical Engineerin

Modeling and optimization of process systems for unconventional technologies and feedstocks

In the present era, the petrochemical/chemical process industries must adapt to unconventional feedstocks and energy sources, in order to keep pace with increased competition, regulatory pressure, and changing markets. However, developing processes compatible with these changes requires deviating from traditional and accepted process design and operation paradigms. This dissertation addresses fundamental challenges related to this transition from three angles: incorporation of custom (and detailed) models into process design, integration of variable operation with process design, and optimization of transient process operations. The first part of the dissertation introduces a framework for modeling, simulation, and optimization of process flowsheets incorporating highly detailed physical models of important and complex process units, termed “multi-resolution flowsheets”. The framework relies on pseudo-transient continuation as a numerical method and allows for the robust optimization of large-scale process models. Several case studies demonstrate the method, including process flowsheets featuring both intensified (e.g., dividing-wall distillation column, multistream heat exchanger) and unconventional (e.g., quenched reactor, packed column for carbon capture) process units. Furthermore, these results reveal significant benefits of considering the added level of detail at the design stage. Finally, an avenue is presented to accelerate the convergence of the pseudo-transient method, which is especially important for the large-scale models considered. In the second part of the dissertation, the focus shifts to process design optimization for variable operation, or optimization under uncertainty. Here, I present a method for process design that considers the effect of uncertain physical parameters (assumed to follow continuous probability distributions), using a formulation that exploits the semi-infinite nature of dynamic optimization. I compare the method to traditional “scenario-based” approaches using both theoretical analyses and multiple case studies. In addition to demonstrating the effectiveness of the proposed method, these case studies also emphasize the importance of considering several practically relevant uncertainties during process design. The final part of the dissertation examines explicit consideration of process dynamics for operational optimization. First, I examine periodic (dynamically intensified) processes, which operate at a cyclic steady state. I present a pseudo-transient method for robust optimization of fully discretized dynamic process models, and I present an approach for implementing cyclic conditions based on their fundamental relation to material/energy recycle loops. Lastly, I propose a framework for optimal production scheduling in fast changing market situations. Towards this end, I show how data-driven dynamic models can represent the behavior of a set of scheduling-relevant (physical or latent) variables. A method is also given for executing scheduling calculations using these models, and the framework is demonstrated by considering the demand response operation of both simulated and real-world air separation units.Chemical Engineerin

Dynamics of Rotors on Refrigerant-Lubricated Gas Foil Bearings

Die Technologie des Gasfolienlagers (GFB) zählt zu den Schlüsselfaktoren für den angestrebten Übergang zu ölfreien rotierenden Maschinen in zukünftigen Verkehrsmitteln. Neben zahlreichen Vorteilen hinsichtlich Größe, Gewicht, Effizienz und Sauberkeit bieten GFBs die einzigartige Möglichkeit einer Schmierung mit Arbeitsmedien wie Kältemitteln. Allerdings erweist sich die numerische Analyse kältemittelgeschmierter GFB-Rotor-Systeme als ein interdisziplinäres Problem von enormer Komplexität und mit Interessenkonflikten zwischen allumfassenden, aber effizienten Modellierungs- und Lösungsansätzen. In dieser Dissertation gelingt es, bisherige Machbarkeitsgrenzen auszuloten und zu überwinden, was eine neuartige Vorgehensweise zur Ermöglichung von Stabilitäts- und Bifurkationsanalysen eröffnet

Research Reports: 1997 NASA/ASEE Summer Faculty Fellowship Program

For the 33rd consecutive year, a NASA/ASEE Summer Faculty Fellowship Program was conducted at the Marshall Space Flight Center (MSFC). The program was conducted by the University of Alabama in Huntsville and MSFC during the period June 2, 1997 through August 8, 1997. Operated under the auspices of the American Society for Engineering Education, the MSFC program was sponsored by the Higher Education Branch, Education Division, NASA Headquarters, Washington, D.C. The basic objectives of the program, which are in the 34th year of operation nationally, are: (1) to further the professional knowledge of qualified engineering and science faculty members; (2) to stimulate an exchange of ideas between participants and NASA; (3) to enrich and refresh the research and teaching activities of the participants' institutions; and (4) to contribute to the research objectives of the NASA centers. The Faculty Fellows spent 10 weeks at MSFC engaged in a research project compatible with their interests and background and worked in collaboration with a NASA/MSFC colleague. This document is a compilation of Fellows' reports on their research during the summer of 1997. The University of Alabama in Huntsville presents the Co-Directors' report on the administrative operations of the program. Further information can be obtained by contacting any of the editors

Large space structures and systems in the space station era: A bibliography with indexes

Bibliographies and abstracts are listed for 1372 reports, articles, and other documents introduced into the NASA scientific and technical information system between January 1, 1990 and June 30, 1990. Its purpose is to provide helpful information to the researcher, manager, and designer in technology development and mission design according to system, interactive analysis and design, structural and thermal analysis and design, structural concepts and control systems, electronics, advanced materials, assembly concepts, propulsion, and solar power satellite systems

NASA Tech Briefs, July 1992

Topics include: New Product Ideas; Electronic Components and Circuits; Electronic Systems; Physical Sciences; Materials; Computer Programs; Mechanics; Machinery; Fabrication Technology; Mathematics and Information Sciences; Life Sciences

Aeronautical engineering: A continuing bibliography with indexes (supplement 253)

This bibliography lists 637 reports, articles, and other documents introduced into the NASA scientific and technical information system in May, 1990. Subject coverage includes: design, construction and testing of aircraft and aircraft engines; aircraft components, equipment and systems; ground support systems; and theoretical and applied aspects of aerodynamics and general fluid dynamics