SEARCH · Search NASA

Results for “Chemical Engineering”

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.

SourceResearch connectionFrom yearThrough year

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 91 records · Page 5

All sources NASA NTRS DOE OSTI

DOE OSTI2021

NEXTorch: A Design and Bayesian Optimization Toolkit for Chemical Sciences and Engineering

Automation and optimization of chemical systems require well-informed decisions on what experiments to run to reduce time, materials, and/or computations. Data-driven active learning algorithms have emerged as valuable tools to solve such tasks. Bayesian optimization, a sequential global optimization approach, is a popular active-learning framework. Past studies have demonstrated its efficiency in solving chemistry and engineering problems. Here we introduce NEXTorch, a library in Python/PyTorch, to facilitate laboratory or computational design using Bayesian optimization. NEXTorch offers fast predictive modeling, flexible optimization loops, visualization capabilities, easy interfacing with legacy software, and multiple types of parameters and data type conversions. It provides GPU acceleration, parallelization, and state-of-the-art Bayesian optimization algorithms and supports both automated an d human-in-the-loop optimization. The comprehensive online documentation introduces Bayesian optimization theory and several examples from catalyst synthesis, reaction condition optimization, parameter estimation, and reactor geometry optimization. NEXTorch is open-source and available on GitHub

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1992

The past as prologue - A look at historical flight qualifications for space nuclear systems

Currently the U.S. is sponsoring production of radioisotope thermoelectric generators (RTGs) for the Cassini mission to Saturn; the SP-100 space nuclear reactor power system for NASA applications; a thermionic space reactor program for DoD applications as well as early work on nuclear propulsion. In an era of heightened public concern about having successful space ventures it is important that a full understanding be developed of what it means to 'flight qualify' a space nuclear system. As a contribution to the ongoing work this paper reviews several qualification programs, including the general-purpose heat source radioisotope thermoelectric generators (GPHS-RTGs) as developed for the Galileo and Ulysses missions, the SNAP-10A space reactor, the Nuclear Engine for Rocket Vehicle Applications (NERVA), the F-1 chemical engine used on the Saturn-V, and the Space Shuttle Main Engines (SSMEs). Similarities and contrasts are noted.

Gary L Bennett↗

NASA NTRS1992

Advanced expander test bed engine

The Advanced Expander Test Bed (AETB) is a key element in NASA's Space Chemical Engine Technology Program for development and demonstration of expander cycle oxygen/hydrogen engine and advanced component technologies applicable to space engines as well as launch vehicle upper stage engines. The AETB will be used to validate the high pressure expander cycle concept, study system interactions, and conduct studies of advanced mission focused components and new health monitoring techniques in an engine system environment. The split expander cycle AETB will operate at combustion chamber pressures up to 1200 psia with propellant flow rates equivalent to 20,000 lbf vacuum thrust.

Mitchell, J. P.↗

NASA NTRS2023

Parametric Modeling of NTP Engine Performance for a Crewed Mars Mission

Nuclear thermal propulsion (NTP) has been studied extensively for use on a crewed mission to Mars, and NASA and DARPA are partnering in the development and demonstration of an NTP engine as part of the DRACO project. The specific impulse and thrust achieved by an engine in the context of a mission determines the propellant amount required to close the mission and the size of the vehicle required. An NTP engine has a slower start-up/shut-down transient than traditional chemical engines and requires post-firing cooling, and thus the average Isp for a burn is a function of the power ramp-up rate and the duration of the burn. An initial demonstration engine may target a lower Isp than the 900 sec that has been extensively studied by NASA. This paper shows the effect on the mission closure and vehicle sizing of the transient ramp rate performance and of lower than 900 sec specific impulse. Ammonia is considered as an alternate NTP propellant, with mission performance estimated.

NTP↗

NASA NTRS1995

Design Considerations for Space Transfer Vehicles Using Solar Thermal Propulsion

The economical deployment of satellites to high energy earth orbits is crucial to the ultimate success of this nations commerical space ventures and is highly desirable for deep space planetary missions requiring earth escape trajectories. Upper stage space transfer vehicles needed to accomplish this task should ideally be simple, robust, and highly efficient. In this regard, solar thermal propulsion is particularly well suited to those missions where high thrust is not a requirement. The Marshall Space Flight Center is , therefore, currently engaged in defining a transfer vehicle employing solar thermal propulsion capable of transferring a 1000 lb. payload from low Earth orbit (LEO) to a geostationary Earth orbit (GEO) using a Lockheed launch vehicle (LLV3) with three Castors and a large shroud. The current design uses liquid hydrogen as the propellant and employs two inflatable 16 x 24 feet eliptical off-axis parabolic solar collectors to focus sunlight onto a tungsten/rhenium windowless black body type absorber. The concentration factor on this design is projected to be approximately 1800:1 for the primary collector and 2.42:1 for the secondary collector for an overall concentration factor of nearly 4400:1. The engine, which is about twice as efficient as the best currently available chemical engines, produces two pounds of thrust with a specific impulse (Isp) of 860 sec. Transfer times to GEO are projected to be on the order of one month. The launch and deployed configurations of the solar thermal upper stage (STUS) are depicted.

Emrich, William J.↗

DOE OSTI2026

Opportunities and challenges in process modeling and simulation of electrochemical systems

Electrochemical technologies have garnered intense interest in both academic research and industrial applications due to their potential to increase energy efficiency and reduce carbon footprint. However, electrochemical process fundamentals have been absent from the chemical process simulators available to millions of chemical engineers worldwide. To expedite process research and development of electrochemical technologies in the chemical industry, it is imperative that essential electrochemical process fundamentals be incorporated into process simulators to support modeling and simulation of electrochemical processes. Here, this study examines three process fundamentals key to the research and development of electrochemical processes: electrochemical reaction kinetics, electrolyte thermodynamics, and heat and mass transfer. It further illustrates application of these process fundamentals with a case study modeling an electrochemical process for the conversion of acrylonitrile to adiponitrile. The modeling example highlights the roles of applied voltage on reaction rates, and electron flow rates on the performance of electrochemical processes. It suggests that the applied voltage and electron flow rates are two unique concepts that should be included in simulators for electrochemical processes.

09 BIOMASS FUELS↗

NASA NTRS1988

Advanced Earth-to-orbit propulsion technology program overview: Impact of civil space technology initiative

The NASA Earth-to-Orbit (ETO) Propulsion Technology Program is dedicated to advancing rocket engine technologies for the development of fully reusable engine systems that will enable space transportation systems to achieve low cost, routine access to space. The program addresses technology advancements in the areas of engine life extension/prediction, performance enhancements, reduced ground operations costs, and in-flight fault tolerant engine operations. The primary objective is to acquire increased knowledge and understanding of rocket engine chemical and physical processes in order to evolve more realistic analytical simulations of engine internal environments, to derive more accurate predictions of steady and unsteady loads, and using improved structural analyses, to more accurately predict component life and performance, and finally to identify and verify more durable advanced design concepts. In addition, efforts were focused on engine diagnostic needs and advances that would allow integrated health monitoring systems to be developed for enhanced maintainability, automated servicing, inspection, and checkout, and ultimately, in-flight fault tolerant engine operations.

Stephenson, Frank W., Jr.↗

DOE OSTI2020

[Challenges and Opportunities in] Process Modeling of Intensified Chemical Processes

Before the benefits of process intensification can be fully realized, a multitude of advances in process modeling will be necessary. Process intensification (PI) has the potential to speed development of chemical engineering innovations. Among its many benefits, PI can increase the driving forces (physical and/or chemical) for transport phenomena, separations, and/or reactions in chemical processes, and inspire novel process configurations with major technical and economic benefits. Examples of PI applications include integrated process units such as heat exchange networks, sorption- or membrane-enhanced reactors, and dividing-wall distillation columns, among others [AIChE(2017)].

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS2006

Design Considerations for the Nuclear Thermal Rocket Element Environmental Simulator (NTREES)

Nuclear Thermal Rockets or NTR's have been suggested as a propulsion system option for vehicles traveling to the moon or Mars. These engines are capable of providing high thrust at specific impulses at least twice that of today s best chemical engines. The performance constraints on these engines are mainly the result of temperature limitations on the fuel coupled with a limited ability to withstand chemical attack by the hot hydrogen propellant. To operate at maximum efficiency, fuel forms are desired which can withstand the extremely hot, hostile environment characteristic of NTR operation for at least several hours. The simulation of such an environment would require an experimental device which could simultaneously approximate the power, flow, and temperature conditions which a nuclear fuel element (or partial element) would encounter during NTR operation. Such a simulation would allow detailed studies of the fuel behavior and hydrogen flow characteristics under reactor like conditions to be performed. The goal of these simulations would be directed toward expanding the performance envelope of NTR engines over that which was demonstrated during the Rover and NERVA nuclear rocket programs of the 1970's. Currently, such a simulator is nearing completion at the Marshall Space Flight Center, and will shortly be used in the future to evaluate a wide variety of he1 element designs and the materials of which they are constructed. This present work addresses the initial experimental objectives of the Nuclear Thermal Rocket Element Environmental Simulator or NTREES and some of the design considerations which were considered prior to and during its construction.

Emrich, Bill↗

DOE OSTI2022

Toward Rational Design of Supported Vanadia Catalysts of Lignin Conversion to Phenol

In sustainable chemical engineering, catalytic upgrading of lignocellulosic biomass has recently gained attention for producing renewable platform chemicals. To achieve maximal biomass utilization, upgrading the underutilized lignin components is essential. Among various catalysts for lignin upgrading, supported vanadia (V2O5) catalysts are promising because of their cost-effectiveness and tunability of either dopant metals or catalyst supports. Here, computational studies are conducted to derive rational design guidelines of supported V2O5 catalysts for accomplishing the high catalytic activity of lignin upgrading to phenol, a key compound for producing bioplastics and biofuel blendstocks. Guaiacol was used as the model compound since it comprises the highest portion of depolymerized lignin. Computational mechanistic studies for the catalytic guaiacol conversion to phenol were performed for the V2O5 catalysts on Titania (TiO2) and silica (SiO2) to explain higher experimental phenol yields on V2O5/SiO2 than V2O5/TiO2. The hydrogen migration from the methoxy group to the aryl ring was identified as a rate-determining step, and the overall activation energies on the two catalysts were compared. A structural analysis was carried out for the catalysts and rate-determining transition states to gain further insights from mechanistic studies. It was concluded that the tilt angle of the aryl group in the hydrogen migration transition state is a key descriptor determining the catalytic activity of phenol formation. These features correlate well with activation energies and experimental phenol yields, indicating that they provide design guidelines for supported metal catalysts for lignin upgrading before experiments.

BIOMASS FUELS,INORGANIC, ORGANIC, PHYSICAL, AND AN↗

NASA NTRS2007

NTREES Testing and Operations Status

Nuclear Thermal Rockets or NTR's have been suggested as a propulsion system option for vehicles traveling to the moon or Mars. These engines are capable of providing high thrust at specific impulses at least twice that of today's best chemical engines. The performance constraints on these engines are mainly the result of temperature limitations on the fuel coupled with a limited ability to withstand chemical attack by the hot hydrogen propellant. To operate at maximum efficiency, fuel forms are desired which can withstand the extremely hot, hostile environment characteristic of NTR operation for at least several hours. The simulation of such an environment would require an experimental device which could simultaneously approximate the power, flow, and temperature conditions which a nuclear fuel element (or partial element) would encounter during NTR operation. Such a simulation would allow detailed studies of the fuel behavior and hydrogen flow characteristics under reactor like conditions to be performed. Currently, the construction of such a simulator has been completed at the Marshall Space Flight Center, and will be used in the future to evaluate a wide variety of fuel element designs and the materials of which they are fabricated. This present work addresses the operational status of the Nuclear Thermal Rocket Element Environmental Simulator or NTREES and some of the design considerations which were considered prior to and during its construction.

Emrich, Bill↗

DOE OSTI2024

Conceptual range estimation for total cost of ownership of modular process‐intensified chemical plants

Abstract Chemical companies have used modularization to reduce capital costs and project timelines, putting capital to work faster and lowering the risk of entering new markets. Nevertheless, the impacts of using modularization along with advanced technologies, such as process intensification, have not yet been fully realized, often due to the uncertain business risks associated with their implementation. Therefore, new methods are needed for quantifying the impact of modular chemical process intensification (MCPI) on the capital and operating costs of chemical plants to help build a business case for this novel approach. This article presents a new conceptual range estimation technique for total cost of ownership that addresses the deficiencies of existing methods for quantifying MCPI impacts. The incorporation of percentage range estimates was employed to allow for adaptability across various cost and size scales. This work also begins to elucidate how chemical engineering and construction firms can benefit from MCPI and identifies barriers that inhibit MCPI applications in the chemical industry.

Alhamouri, Khaled I.↗

DOE OSTI2020

BioSTEAMDevelopmentGroup/thermosteam

BioSTEAM is a fast and flexible package for the design, simulation, and techno-economic analysis of biorefineries under uncertainty. BioSTEAM’s framework is built to streamline and automate early-stage technology evaluations and to enable rigorous sensitivity and uncertainty analyses. Complete biorefinery configurations are available at the Bioindustrial-Park GitHub repository, BioSTEAM’s premier repository for biorefinery models and results. The long-term growth and maintenance of BioSTEAM is supported through both community-led development and the research institutions invested in BioSTEAM. Through the open-source and community-lead platform, BioSTEAM aims to foster communication and transparency within the biorefinery research community for an integrated effort to expedite the evaluation of candidate biofuels and bioproducts. Additionally, an agile life cycle assessment (LCA) platform has been designed to interface with BioSTEAM, BioSTEAM-LCA. This open-source, installable package allows users to perform streamlined LCAs of biorefineries. The focus of BioSTEAM-LCA is to streamline and automate early-stage environmental impact analyses of processes and technologies, and to enable rigorous sensitivity and uncertainty analyses linking process design, performance, economics, and environmental impacts. ThermoSTEAM is a standalone thermodynamic engine capable of estimating mixture properties, solving thermodynamic phase equilibria, and modeling stoichiometric reactions. ThermoSTEAM builds upon chemicals, the chemical properties component of the Chemical Engineering Design Library, with a robust and flexible framework that facilitates the creation of property packages. The Biorefinery Simulation and Techno-Economic Analysis Modules (BioSTEAM) is dependent on ThermoSTEAM for the simulation of unit operations.

Cortes-Peña, Yoel↗

NASA NTRS2023

Modeling Fuel Droplets in RCS Engine Exhaust Plume

Thrusters are used to maneuver spacecraft in space. Spacecraft maneuvering and attitude control is achieved by accelerating the high temperature and pressure exhaust gases, which are the result of chemical combustion in the case of chemical engines, through the rocket nozzle. Following the end of the nozzle a plume is created containing combustion gases and high velocity droplets of unburnt propellant that with time can erode the surfaces it strikes. A simulation that can accurately model a thruster’s plume can help us reduce the erosion of components struck by the plume. The creation of this simulation can be broken into several parts, and this paper focuses on finding out what distribution of particles along a plane in the nozzle, where combustion can be assumed to be complete, creates the observed particle distribution in the plume. Findings show that unburnt droplets are mostly concentrated in the center of the nozzle or uniformly dispersed within the nozzle.

CFD↗

DOE OSTI2021

Sustainable and Inexpensive Polydimethylsiloxane Sponges for Daytime Radiative Cooling

Radiative cooling is an emerging cooling technology that can passively release heat to the environment. To obtain a subambient cooling effect during the daytime, chemically engineered structural materials are widely explored to simultaneously reject sunlight and preserve strong thermal emission. However, many previously reported fabrication processes involve hazardous chemicals, which can hinder a material’s ability to be mass produced. In order to eliminate the hazardous chemicals used in the fabrication of previous works, this article reports a white polydimethylsiloxane (PDMS) sponge fabricated by a sustainable process using microsugar templates. By substituting the chemicals for sugar, the manufacturing procedure produces zero toxic waste and can also be endlessly recycled via methods widely used in the sugar industry. The obtained porous PDMS exhibits strong visible scattering and thermal emission, resulting in an efficient temperature reduction of 4.6 °C and cooling power of 43 W m –2 under direct solar irradiation. In addition, due to the air-filled voids within the PDMS sponge, its thermal conductivity remains low at 0.06 W (m K) –1 . This unique combination of radiative cooling and thermal insulation properties can efficiently suppress the heat exchange with the solar-heated rooftop or the environment, representing a promising future for new energy-efficient building envelope material.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

NASA NTRS2005

Modeling and Testing of Non-Nuclear, Highpower Simulated Nuclear Thermal Rocket Reactor Elements

When the President offered his new vision for space exploration in January of 2004, he said, "Our third goal is to return to the moon by 2020, as the launching point for missions beyond," and, "With the experience and knowledge gained on the moon, we will then be ready to take the next steps of space exploration: human missions to Mars and to worlds beyond." A human mission to Mars implies the need to move large payloads as rapidly as possible, in an efficient and cost-effective manner. Furthermore, with the scientific advancements possible with Project Prometheus and its Jupiter Icy Moons Orbiter (JIMO), (these use electric propulsion), there is a renewed interest in deep space exploration propulsion systems. According to many mission analyses, nuclear thermal propulsion (NTP), with its relatively high thrust and high specific impulse, is a serious candidate for such missions. Nuclear rockets utilize fission energy to heat a reactor core to very high temperatures. Hydrogen gas flowing through the core then becomes superheated and exits the engine at very high exhaust velocities. The combination of temperature and low molecular weight results in an engine with specific impulses above 900 seconds. This is almost twice the performance of the LOX/LH2 space shuttle engines, and the impact of this performance would be to reduce the trip time of a manned Mars mission from the 2.5 years, possible with chemical engines, to about 12-14 months.

Kirk, Daniel R.↗

NASA NTRS2014

The Benefits of Nuclear Thermal Propulsion (NTP) in an Evolvable Mars Campaign

NTR: High thrust high specific impulse (2 x LOXLH2chemical) engine uses high power density fission reactor with enriched uranium fuel as thermal power source. Reactor heat is removed using H2propellant which is then exhausted to produce thrust. Conventional chemical engine LH2tanks, turbopumps, regenerative nozzles and radiation-cooled shirt extensions used --NTR is next evolutionary step in high performance liquid rocket engines During the Rover program, a common fuel element tie tube design was developed and used in the design of the 50 klbf Kiwi-B4E (1964), 75 klbf Phoebus-1B (1967), 250 klbf Phoebus-2A (June 1968), then back down to the 25 klbf Pewee engine (Nov-Dec 1968) NASA and DOE are using this same approach: design, build, ground then flight test a small engine using a common fuel element that is scalable to a larger 25 klbf thrust engine needed for human missions

Nuclear thermal rocket↗

NASA NTRS1981

Process feasibility study in support of silicon material task 1

Results for process system properties, chemical engineering and economic analyses of the new technologies and processes being developed for the production of lower cost silicon for solar cells are presented. Analyses of process system properties are important for chemical materials involved in the several processes under consideration for semiconductor and solar cell grade silicon production. Major physical, thermodynamic and transport property data are reported for silicon source and processing chemical materials.

Yaws, C. L.↗