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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 955 records · Page 53
All sourcesNASA NTRSDOE OSTI
NASA NTRS1996

An Overdetermined System for Improved Autocorrelation Based Spectral Moment Estimator Performance

Autocorrelation based spectral moment estimators are typically derived using the Fourier transform relationship between the power spectrum and the autocorrelation function along with using either an assumed form of the autocorrelation function, e.g., Gaussian, or a generic complex form and applying properties of the characteristic function. Passarelli has used a series expansion of the general complex autocorrelation function and has expressed the coefficients in terms of central moments of the power spectrum. A truncation of this series will produce a closed system of equations which can be solved for the central moments of interest. The autocorrelation function at various lags is estimated from samples of the random process under observation. These estimates themselves are random variables and exhibit a bias and variance that is a function of the number of samples used in the estimates and the operational signal-to-noise ratio. This contributes to a degradation in performance of the moment estimators. This dissertation investigates the use autocorrelation function estimates at higher order lags to reduce the bias and standard deviation in spectral moment estimates. In particular, Passarelli's series expansion is cast in terms of an overdetermined system to form a framework under which the application of additional autocorrelation function estimates at higher order lags can be defined and assessed. The solution of the overdetermined system is the least squares solution. Furthermore, an overdetermined system can be solved for any moment or moments of interest and is not tied to a particular form of the power spectrum or corresponding autocorrelation function. As an application of this approach, autocorrelation based variance estimators are defined by a truncation of Passarelli's series expansion and applied to simulated Doppler weather radar returns which are characterized by a Gaussian shaped power spectrum. The performance of the variance estimators determined from a closed system is shown to improve through the application of additional autocorrelation lags in an overdetermined system. This improvement is greater in the narrowband spectrum region where the information is spread over more lags of the autocorrelation function. The number of lags needed in the overdetermined system is a function of the spectral width, the number of terms in the series expansion, the number of samples used in estimating the autocorrelation function, and the signal-to-noise ratio. The overdetermined system provides a robustness to the chosen variance estimator by expanding the region of spectral widths and signal-to-noise ratios over which the estimator can perform as compared to the closed system.

Keel, Byron M.↗
DOE OSTI2015

Technetium (VII) Co-precipitation with Framework Aluminosilicates

Technetium-99 (99Tc), a long-lived radionuclide, is one of the most widespread contaminants within the Hanford subsurface. At some depths, it is only extractable with strong acids, suggesting incorporation into a solid phase. We hypothesized that Tc may have coprecipitated with feldspathoid aluminosilicates under waste tanks that had leaked caustic solutions into the vadose zone. Our objectives were to determine if Tc could be incorporated into the feldspathoids cancrinite and sodalite and under what conditions coprecipitation could occur. Our hypothesis was that sodalite was more likely to incorporate and retain Tc. Our approach was to use known methods of feldspathoid formation in solutions resembling those in Hanford waste tanks contacting sediments in terms of major ion (Na, NO3, OH, Al(OH)4, and Si(OH)4 concentrations. In some cases, Al and Si were supplied from zeolite. We used perrhenate (ReO4) as a surrogate for pertechnetate (TcO4) to avoid the radioactivity. The major findings of this study were 1) ReO4 could be incorporated into either sodalite or cancrinite but the concentration in the solid was < 1% of the competing ion Cl, NO3, or NO2. 2) The small amount of ReO4 incorporated was not exchangeable with NO3 or NO2. 3) In sodalite, NO3 was highly preferred over ReO4 but significant Re-sodalite was formed when the mole fraction in solution (Re/Re+N) exceeded 0.8. 4) A nonlinear relation between the unit cell parameter and amount of Re incorporated suggested that a separate Re-sodalite phase was formed rather than a solid solution. 5) We determined that sodalite preference for sodalite in the presence of different anions increased with the ionic size of the competing anion: Cl < CO3 < NO3 < SO4 < MnO4 < WO4 and significant incorporation did not occur unless the difference in anion radii was less than 12%. 6) Re(VII) was not significantly reduced to Re(IV) under the conditions of this experiment and Re appeared to be a good surrogate for Tc under oxidizing conditions as both oxyanions have the same size. In conclusion, incorporation of TcO4 is unlikely in the close proximity to the tanks where sodalite is likely to form in the presence of high NO3 and other anions much smaller than TcO4.

58 GEOSCIENCES↗
DOE OSTI2023

Filling the gap with a bulky diaryl boron group: fluorinated and non-fluorinated copper pyrazolates fitted with a dimesityl boron moiety on the backbone

Successful synthesis has been reported of 4-Mes 2 B-3,5-(CF 3 ) 2 PzH and 4-Mes 2 B-3,5-(CF 3 ) 2 PzH bearing sterically demanding diarylboron moieties at the pyrazole ring 4-position, and their corresponding copper(I) pyrazolate complexes. They show visible blue photoluminescence in solution. The X-ray crystal structures revealed that the fluorinated {[4-BMes 2 -3,5-(CF 3 ) 2 Pz]Cu} 3 crystallizes as discrete trinuclear molecules whereas as the non-fluorinated {[4-BMes 2 -3,5-(CH 3 ) 2 Pz]Cu} 3 forms dimers of trimers with two close inter-trimer Cu···Cu separations. The solid {[4-BMes 2 -3,5-(CF 3 ) 2 Pz]Cu} 3 featuring a sterically confined Cu 3 N 6 core displays bright blue phosphorescence while {[4-BMes 2 -3,5-(CH 3 ) 2 Pz]Cu} 3 , which is a dimer of a trimer, is a red phosphor at room temperature. Here, this work illustrates the modulation of photo-physical properties of metal pyrazolates by adjusting the supporting ligand steric features and introducing secondary diarylboron luminophores. Computational analysis of the structures and photophysical properties of copper complexes are also presented.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Variational approach to extracting the phonon mean free path distribution from the spectral Boltzmann transport equation

The phonon Boltzmann transport equation (BTE) is a powerful tool for studying nondiffusive thermal transport. Here, we develop a new universal variational approach to solving the BTE that enables extraction of phonon mean free path (MFP) distributions from experiments exploring nondiffusive transport. By utilizing the known Fourier heat conduction solution as a trial function, we propose a direct approach to calculating the effective thermal conductivity from the BTE. We reveal this technique on the transient thermal grating experiment, which is a useful tool for studying nondiffusive thermal transport and probing the MFP distribution of materials. We obtain a closed form expression for a suppression function that is materials dependent, successfully addressing the nonuniversality of the suppression function used in the past, while providing a general approach to studying thermal properties in the nondiffusive regime.

42 ENGINEERING↗
DOE OSTI2021

LightMAT - Continuous fiber malleable thermoset composites with sub-1-minute dwell times; validation of impact performance and evaluation of the efficacy of the compression forming process (CRADA 409 Final Report)

In spite of carbon fiber composite materials’ significant impact on light-weighting, performance, and efficiency in the aerospace industry, adoption of these materials has been slow in high-volume industries such as automotive. Two major barriers to adoption are cost and cycle-time. Current approaches to thermoset composite part production are dependent on in-mold curing of thermosets which are not optimal for high volume, high throughput production due to limitations and inefficiencies associated with the in-mold cure itself. In addition, ancillary activities, such as transport and storage of shelf-life-limited uncured, or B-staged prepreg materials typically necessitate refrigerated transport and storage which significantly impacts the economic and energy costs associated with manufacturing. Furthermore, limited out-life means that trimmings cannot typically be used as they partially cure during initial production leading to high scrap rates (+20% is common). Finally, the need to cure in-mold drives cycle times to multiple minutes in the best cases, and 10’s of minutes to hours in most cases. Mallinda is developing polyimine malleable thermoset prepreg composite materials which have excellent mechanical properties (100 GPa tensile modulus, 2 GPA tensile strength, 2.4% elongation at break) and high operating temperatures (Tg>200°C). At scale, polyimine resins are commensurate in price with commodity epoxy resins. What distinguishes malleable thermoset prepreg from traditional thermoset prepreg materials, is that they are fully cured during Mallinda’s roll-to-roll production of prepreg laminate. This results in 5 key value-differentiating benefits. First, it simplifies manufacturing logistics by enabling ambient transportation and storage, and by significantly extending out-life and shelf-life almost indefinitely. Second, elimination of autoclave curing reduces the economic and energy costs to the customer. Third, scrap rates can be reduced as malleable thermoset prepreg materials are directly reusable. Fourth, the manufacturing consolidation step can be roughly 10x faster than traditional thermosets, because the resin is already cured. Parts can be made via compression forming by the application of heat and pressure to quickly vitrify and consolidate a multilayer part – easily leading to sub 3-minute cycle times (at lab scale we have demonstrated a 20 second dwell time, with room for further optimization). Finally, the closed-loop cradle-to-cradle solution-based recyclability of malleable thermoset composites can also contribute significantly to the future of sustainable lightweight materials. The focus of this project was the development, optimization and validation of malleable thermoset composite materials which exhibit manufacturing cycle times of 3-minute or less, high speed impact performance on par with incumbent technologies, and defect-free consolidation of 3 dimensional parts. Government funding is required on this project because Mallinda is a start-up company whose focus is the development and scale-up of the described technology for introduction to the transportation segment. Unlike incumbent industry players, Mallinda is bringing a completely new and highly relevant malleable thermoset technology to bear on the problem of high throughput composites. As a small business, Mallinda relies on a combination of government R&D funding and private capital to perform development work.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Continuous fiber malleable thermoset composites with sub-1-minute dwell times; validation of impact performance and evaluation of the efficacy of the compression forming process. CRADA Final Report

Mallinda is developing polyimine malleable thermoset prepreg composite materials which have excellent mechanical properties (100 GPa tensile modulus, 2 GPA tensile strength, 2.4% elongation at break) and high operating temperatures (Tg>200°C). At scale, polyimine resins are commensurate in price with commodity epoxy resins. What distinguishes malleable thermoset prepreg from traditional thermoset prepreg materials, is that they are fully cured during Mallinda’s roll-to-roll production of prepreg laminate. This results in 5 key value-differentiating benefits. First, it simplifies manufacturing logistics by enabling ambient transportation and storage, and by significantly extending out-life and shelf-life almost indefinitely. Second, elimination of autoclave curing reduces the economic and energy costs to the customer. Third, scrap rates can be reduced as malleable thermoset prepreg materials are directly reusable. Fourth, the manufacturing consolidation step can be roughly 10x faster than traditional thermosets, because the resin is already cured. Parts can be made via compression forming by the application of heat and pressure to quickly vitrify and consolidate a multilayer part – easily leading to sub 3-minute cycle times (at lab scale we have demonstrated a 20 second dwell time, with room for further optimization). Finally, the closed-loop cradle-to-cradle solution-based recyclability of malleable thermoset composites can also contribute significantly to the future of sustainable lightweight materials. The focus of this project was the development, optimization and validation of malleable thermoset composite materials which exhibit manufacturing cycle times of 3-minute or less, high speed impact performance on par with incumbent technologies, and defect-free consolidation of 3 dimensional parts.

36 MATERIALS SCIENCE↗
DOE OSTI2011

The relative isoperimetric inequality on a conformally parabolic manifold with boundary

For an arbitrary noncompact n-dimensional Riemannian manifold with a boundary of conformally parabolic type it is proved that there exists a conformal change of metric such that a relative isoperimetric inequality of the same form as in the closed n-dimensional Euclidean half-space holds on the manifold with the new metric. This isoperimetric inequality is asymptotically sharp. Bibliography: 6 titles.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2015

Fluxons in a triangular set of coupled long Josephson junctions

We report results of an analysis of the dynamics of magnetic flux solitons in the system of three long Josephson junctions between three bulk superconductors that form a prism. The system is modeled by coupled sine-Gordon equations for the phases of the junctions. The Aharonov-Bohm constraint takes into account the axial magnetic flux enclosed by the prism and reduces the system from three independent phases to two. The equations of motion for the phases include dissipative terms, and a control parameter δ which accounts for the deviation of the enclosed flux from half a quantum. Analyzing the effective potential of the coupled equations, we identify different species of topological and non-topological phase solitons (fluxons) in this system. In particular, subkinks with fractional topological charges ±1/3 and ±2/3, confined inside integer-charge fluxons, may be mapped onto the root diagrams for mesons and baryons in the original quark model of hadrons. Solutions for straight-line kinks and for two types of non-topological solitons are obtained in an explicit analytical form. Numerical tests demonstrate that the former species is unstable against breakup into pairs of separating single-fluxon kinks. The non-topological kinks feature metastability, eventually breaking up into fluxon-antifluxon pairs. Free fractional-fluxon kinks, that connect different potential minima and are, accordingly, pulled by the potential difference, are also considered. Using the momentum-balance method, we predict the velocity at which these kinks should move in the presence of the dissipation. Numerical tests demonstrate that the analysis predicts the velocity quite closely. Higher-energy static solutions for all of the stable kink types mentioned above, as well as kinks connecting false vacua, are found by means of the shooting method. Inelastic collisions among the stable fractional and single-fluxon kinks are investigated numerically.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2013

Plasmas generated by ultra-violet light rather than electron impact

We analyze, in both plane and cylindrical geometries, a collisionless plasma consisting of an inner region where generation occurs by UV illumination, and an un-illuminated outer region with no generation. Ions generated in the inner region flow outwards through the outer region and into a wall. We solve for this system's steady state, first in the quasi-neutral regime (where the Debye length λ{sub D} vanishes and analytic solutions exist) and then in the general case, which we solve numerically. In the general case, a double layer forms where the illuminated and un-illuminated regions meet, and an approximately quasi-neutral plasma connects the double layer to the wall sheath; in plane geometry, the ions coast through the quasi-neutral section at slightly more than the Bohm speed c{sub s}. The system, although simple, therefore has two novel features: a double layer that does not require counter-streaming ions and electrons, and a quasi-neutral plasma where ions travel in straight lines with at least the Bohm speed. We close with a précis of our asymptotic solutions of this system, and suggest how our theoretical conclusions might be extended and tested in the laboratory.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Modeling ethanol/water adsorption in all-silica zeolites using the real adsorbed solution theory

A comprehensive set of single-component and binary isotherms were collected for ethanol/water adsorption into the siliceous forms of 185 known zeolites using grand-canonical Monte Carlo simulations. Using these data, a systematic analysis of ideal/real adsorbed-solution theory (IAST/RAST) was conducted and activity coefficients were derived for ethanol/water mixtures adsorbed in different zeolites based on RAST. It was found that activity coefficients of ethanol are close to unity while activity coefficients of water are larger in most zeolites, indicating a positive excess free energy of the mixture. This observation can be attributed to water/ethanol interactions being less favorable than water/water interactions in the single-component adsorption of water at comparable loadings. The deviation from ideal behavior can be highly structure-dependent but no clear correlation with pore diameters was identified. Furthermore, our analysis also demonstrates the following: (1) accurate unary isotherms in the low-loading regime are critical for obtaining physically sensible activity coefficients; (2) the global regression scheme to solve for activity model parameters performs better than fitting activity models to activity coefficients calculated locally at each binary state point; and (3) including the dependence on adsorption potential offers only a minor benefit for describing binary adsorption at the lowest fugacities. Finally, the Margules activity model was found incapable of capturing the non-ideal adsorption behavior over the entire range of fugacities and compositions in all zeolites, but for conditions typical of solution-phase adsorption, RAST predictions using zeolite-specific or even bulk Margules parameters provide an improved description compared to IAST.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Estimating T2 from surface NMR FID data using a forward model based on the full-Bloch equation

An integral component of the surface nuclear magnetic resonance forward model involves predicting the magnitude of the transverse magnetization following excitation. To predict the transverse magnetization, the Bloch equation must be solved. Traditional surface NMR forward models solve a simplified version of the Bloch equation where the relaxation terms are neglected. A shortcoming of this approach is that it can struggle to accurately describe the impact of relaxation during pulse effects. To address this concern, an alternative forward model based on solution of the full-Bloch equation is proposed. The advantage of the proposed scheme is that it implicitly accounts for relaxation during pulse effects, increases the flexibility to implement alternative parametrizations of the inverse model, and can readily describe an arbitrary excitation protocol given that it no longer requires closed form expressions of the transverse magnetizations. To demonstrate the potential of the updated forward modelling scheme, a novel approach for the inversion of complex-valued free-induction decay (FID) data is presented. The inverse model is reparametrized in order to produce depth profiles of the water content, T2* and T2. This approach has great potential to enhance the ability of FID measurements to provide insights into pore size and permeability as it can provide direct sensitivity to T2. In contrast, traditional approaches that employ a forward model based on the simplified Bloch equation and estimate only T2* are plagued by uncertainty surrounding the link between T2* and pore size/permeability. Synthetic and field results are presented to demonstrate the feasibility of the proposed forward model and FID inversion framework.

58 GEOSCIENCES↗
NASA NTRS1972

An analytic guidance technique for planetary and lunar approach trajectories.

An explicit, analytic guidance technique is developed for the hyperbolic approach phases of interplanetary and lunar spacecraft trajectories. The guidance technique is based upon a first-order analytic solution for the perturbed planet-centered (or moon-centered) trajectory. This trajectory is represented as the sum of two components: (1) the unperturbed osculating hyperbola at pericenter, and (2) first-order position and velocity perturbations due to gravitational effects of the sun and other planets. A closed-form analytic approximation for these perturbations valid for the entire approach trajectory is derived, thereby eliminating the need for numerical integration of the equations of motion. By means of this analytic trajectory model, the approach guidance problem is reduced to an equivalent two-body problem. The guidance objectives are specified in terms of actual, attainable conditions at pericenter, and the required corrective velocity is determined explicitly for both fixed and variable times of arrival.

Carlson, N. A.↗
NASA NTRS1974

Lectures on the scattering of light

The exact (Mie) theory for the scattering of a plane wave by a dielectric sphere is presented. Since this infinite series solution is computationally impractical for large spheres, another formulation is given in terms of an integral equation valid for a bounded, but otherwise general array of scatterers. This equation is applied to the scattering by a single sphere, and several methods are suggested for approximating the scattering cross section in closed form. A tensor scattering matrix is introduced, in terms of which some general scattering theorems are derived. The application of the formalism to multiple scattering is briefly considered.

Saxon, D. S.↗
NASA NTRS1989

Real-time approximate optimal guidance laws for the advanced launch system

An approach to optimal ascent guidance for a launch vehicle is developed using an expansion technique. The problem is to maximize the payload put into orbit subject to the equations of motion of a rocket over a rotating spherical earth. It is assumed that the thrust and gravitational forces dominate over the aerodynamic forces. It is shown that these forces can be separated by a small parameter epsilon, where epsilon is the ratio of the atmospheric scale height to the radius of the earth. The Hamilton-Jacobi-Bellman or dynamic programming equation is expanded in a series where the zeroth-order term (epsilon = 0) can be obtained in closed form. The zeroth-order problem is that of putting maximum payload into orbit subject to the equations of motion of a rocket in a vacuum over a flat earth. The neglected inertial and aerodynamic terms are included in higher order terms of the expansion, which are determined from the solution of first-order linear partial differential equations requiring only quadrature integrations. These quadrature integrations can be performed rapidly, so that real-time approximate optimization can be used to construct the launch guidance law.

Speyer, Jason L.↗
NASA NTRS1951

Flow through cascades in tandem

An exact treatment of the problem of finding the incompressible, inviscid two-dimensional flow around two cascades in tandem is presented. The analysis includes solutions of both the direct and the inverse problems. These problems are solved by conformally mapping the tandem cascade onto the region between two concentric circles in which region there are suitably placed flow singularities. Formulas for the velocity and the potential in the annular region are presented in a closed form by means of elliptic functions. The equations are presented in a form suitable for computation.

Spraglin, William E↗
DOE OSTI2015

Dissociation of glucocerebrosidase dimer in solution by its co-factor, saposin C

Mutations in the gene for the lysosomal enzyme glucocerebrosidase (GCase) cause Gaucher disease and are the most common risk factor for Parkinson disease (PD). Analytical ultracentrifugation of 8 μM GCase shows equilibrium between monomer and dimer forms. However, in the presence of its co-factor saposin C (Sap C), only monomer GCase is seen. Isothermal calorimetry confirms that Sap C associates with GCase in solution in a 1:1 complex (K d = 2.1 ± 1.1 μM). Saturation cross-transfer NMR determined that the region of Sap C contacting GCase includes residues 63–66 and 74–76, which is distinct from the region known to enhance GCase activity. Because α-synuclein (α-syn), a protein closely associated with PD etiology, competes with Sap C for GCase binding, its interaction with GCase was also measured by ultracentrifugation and saturation cross-transfer. Unlike Sap C, binding of α-syn to GCase does not affect multimerization. However, adding α-syn reduces saturation cross-transfer from Sap C to GCase, confirming displacement. To explore where Sap C might disrupt multimeric GCase, GCase x-ray structures were analyzed using the program PISA, which predicted stable dimer and tetramer forms. In conclusion, for the most frequently predicted multimer interface, the GCase active sites are partially buried, suggesting that Sap C might disrupt the multimer by binding near the active site.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2017

Does the Perfect Waste Package Exist? Development of a Decisional Tool Addressing this Challenge - 17053

The definition of a safe, technically, economically and societally acceptable waste management strategy is highly dependent on the Waste Acceptance Criteria in each country and on the already available disposal routes. It is the reason why there is not a single solution but a combination of optimized solutions depending on the type of waste and on each country's considerations. In fact, when operating a nuclear plant or performing its decommissioning or legacy waste management, one has to consider a large waste diversity in term of natures, types, volumes and radioactivity spectra. All nuclear operators have to take-up the challenge of implementing solutions for conditioning its waste in packages suitable for transport short to long term interim storage and final disposal of it (or prepare for final disposal if the repository is not yet available). Operators have then to answer the following dilemma: either define a complete strategy packaging the waste for final disposal, or 'containerising' it temporarily, pending final disposal. The strategy is highly country dependent; in the first case, one has to take into account the available information and future orientations relative to acceptability of the packages in order to define a robust solution. The approach implemented in France requires a close dialogue between the Operators, the Safety Authority, the Administration and the stakeholders. Moreover it pushes forward whenever possible standardization, contributing to cost minimization. If the second approach has the advantage of leaving the options open, and reducing the initial investments, it inevitably requires future retrieval and re-packaging with potential evolutions/degradation of the initial waste form. It also induces the potential risk to produce additional secondary waste. As an additional drawback, it introduces uncertainties and unknowns related to the future waste management criteria and to the costs. The general idea is that, depending on context, a given route (i.e., treatment, conditioning, and transport), could be considered as efficient or not. Assessing a waste package is certainly highly context dependent. However it should be possible to recognize and to lead an evaluation based on a number of fixed criteria, whatever the context, to be addressed when assessing the development of a final waste package in connection to the overall management route. A waste package is always a combination of a waste container and a waste form and will have to be transported one day from the production site to the final repository or to off-site interim storage facilities. AREVA's approach consists in defining an evaluation grid based on a set of criteria which aim (i) to evaluate whether the different waste treatments, conditionings, transport and packages deserve to be considered within different national contexts, and (ii) to evaluate R and D actions to be performed for improving existing solutions or developing new ones. One of the key lessons to be drawn from AREVA's experience in developing waste packages is that the perfect waste doesn't exist even though the vitrified canister is probably the most efficient one. The performance of a package resulting from a compromise depends on context and is a strength combination between the waste container and the waste form. The approach is to evaluate a waste package development against different set of criteria and to draw optimization diagrams. In such diagram, a given waste package is assessed with respect to selected criteria such as waste form and waste container, stability, level of waste incorporation, integrity lifetime, secondary waste generation, transport, long term behavior, and economical effectiveness, etc. Addressing a waste form is a very key point. This evaluation grid and comparative approach will be presented through examples and comparison providing from AREVA feedback on waste package development related to complex waste management such as problematic waste or legacy waste. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2017

An efficient MILP framework for integrating nonlinear process dynamics and control in optimal production scheduling calculations

The emphasis currently placed on enterprise-wide decision making and optimization has led to an increased need for methods of integrating nonlinear process dynamics and control information in scheduling calculations. The inevitable high dimensionality and nonlinearity of first-principles dynamic process models makes incorporating them in scheduling calculations challenging. In this work, we describe a general framework for deriving data-driven surrogate models of the closed-loop process dynamics. Focusing on Hammerstein–Wiener and finite step response (FSR) model forms, we show that these models can be (exactly) linearized and embedded in production scheduling calculations. The resulting scheduling problems are mixed-integer linear programs with a special structure, which we exploit in a novel and efficient solution strategy. A polymerization reactor case study is utilized to demonstrate the merits of this method. Finally, our framework compares favorably to existing approaches that embed dynamics in scheduling calculations, showing considerable reductions in computational effort.

24 POWER TRANSMISSION AND DISTRIBUTION↗