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NASA Chemical Equilibrium with Applications (CEA) Tutorial

The software program Chemical Equilibrium with Applications (CEA) is used to solve chemical equilibrium, and compute thermodynamic and transport properties of the resulting mixture, and also has special solvers dedicated to rocket, shock, and detonation problems. We will give an overview of CEA’s features and discuss some of the fundamental equations used by CEA, as well as the fundamental assumptions, in order to provide users with a better understanding of what exactly the software is doing. We have undertaken a full re-write of the software in the last two years, so we will also provide details about the new version of CEA as well.

chemical equilibrium

Comparison of Ablation Predictions for Carbonaceous Materials Using CEA and JANAF-Based Species Thermodynamics

In most previous work at NASA Ames Research Center, ablation predictions for carbonaceous materials were obtained using a species thermodynamics database developed by Aerotherm Corporation. This database is derived mostly from the JANAF thermochemical tables. However, the CEA thermodynamics database, also used by NASA, is considered more up to date. In this work, the FIAT code was modified to use CEA-based curve fits for species thermodynamics, then analyses using both the JANAF and CEA thermodynamics were performed for carbon and carbon phenolic materials over a range of test conditions. The ablation predictions are comparable at lower heat fluxes where the dominant mechanism is carbon oxidation. However, the predictions begin to diverge in the sublimation regime, with the CEA model predicting lower recession. The disagreement is more significant for carbon phenolic than for carbon, and this difference is attributed to hydrocarbon species that may contribute to the ablation rate.

Milos, Frank S.

Comparison of CEAS and Williams-type models for spring wheat yields in North Dakota and Minnesota

The CEAS and Williams-type yield models are both based on multiple regression analysis of historical time series data at CRD level. The CEAS model develops a separate relation for each CRD; the Williams-type model pools CRD data to regional level (groups of similar CRDs). Basic variables considered in the analyses are USDA yield, monthly mean temperature, monthly precipitation, and variables derived from these. The Williams-type model also used soil texture and topographic information. Technological trend is represented in both by piecewise linear functions of year. Indicators of yield reliability obtained from a ten-year bootstrap test of each model (1970-1979) demonstrate that the models are very similar in performance in all respects. Both models are about equally objective, adequate, timely, simple, and inexpensive. Both consider scientific knowledge on a broad scale but not in detail. Neither provides a good current measure of modeled yield reliability. The CEAS model is considered very slightly preferable for AgRISTARS applications.

Barnett, T. L.

Simplifying CEA through Excel, VBA, and Subeq

Many people use compound equilibrium programs for very different reasons, varying from refrigerators to light bulbs to rockets. A commonly used equilibrium program is CEA. CEA can take various inputs such as pressure, temperature, and volume along with numerous reactants and run them through equilibrium equations to obtain valuable output information, including products formed and their relative amounts. A little over a year ago, Bonnie McBride created the program subeq with the goal to simplify the calling of CEA. Subeq was also designed to be called by other programs, including Excel, through the use of Visual Basic for Applications (VBA). The largest advantage of using Excel is that it allows the user to input the information in a colorful and user-friendly environment while allowing VBA to run subeq, which is in the form of a FORTRAN DLL (Dynamic Link Library). Calling subeq in this form makes it much faster than if it were converted to VBA. Since subeq requires such large lists of reactant and product names, all of which can't be passed in as an array, subeq had to be changed to accept very long strings of reactants and products. To pass this string and adjust the transfer of input and output parameters, the subeq DLL had to be changed. One program that does this is Compaq Visual FORTRAN, which allows DLLs to be edited, debugged, and compiled. Compaq Visual FORTRAN uses FORTRAN 90/95, which has additional features to that of FORTRAN 77. My goals this summer include finishing up the excel spreadsheet of subeq, which I started last summer, and putting it on the Internet so that others can use it without having to download my spreadsheet. To finish up the spreadsheet I will need to work on debugging current options and problems. I will also work on making it as robust as possible, so that all errors that may arise will be clearly communicated to the user. New features will be added old ones will be changed as I receive comments from people using the spreadsheet. To implement this onto the Internet, I will need to develop an XML input/output format and learn how to write HTML.

Foster, Ryan

CEA2022: A Modernization of NASA Glenn’s Software CEA (Chemical Equilibrium with Applications)

The software program “Chemical Equilibrium with Applications” (CEA) is used to solve chemical equilibrium, and compute thermodynamic and transport properties of the resulting mixture, and also has special solvers dedicated to rocket, shock, and detonation problems. We have recently completed a full re-write of CEA with modernization and improvements, called “CEA2022”. In this paper, we will give an overview of CEA2022’s features, and discuss some of the fundamental equations used by CEA2022, as well as the fundamental assumptions, in order to provide users with a complete understanding of the software’s methodology. Several enhancements have been made to the software, including modern software development practices, interface improvements, and additional features. The feature enhancements include: running cases in parallel with thread safe solves, thermodynamic and transport database updates, and allowing for negative and inert reactants. In terms of interface improvements, we have made CEA a reusable library by adding APIs for multiple languages, including Python, Matlab, Excel, Fortran, and C. The subroutine interface allows for integration with other applications, including flow-solver integration (i.e. with CFD). We also compare results between CEA2022 and the previous version (CEA2) as a validation of the new software.

chemical equilibrium

Updates and Modernization of NASA’s Chemical Equilibrium with Applications (CEA) Code

NASA’s Chemical Equilibrium with Applications (CEA) code is a foundational tool for propulsion system analysis. It provides equilibrium chemistry, rocket performance, shock, and detonation calculations used across NASA and the broader aerospace community. NASA Engineering and Safety Center (NESC) Activity TI-22-01730 modernized the legacy CEA2 Fortran code into CEA v3, a Fortran 2008, object-oriented software package with expanded interface support, updated thermochemical data, improved maintainability, and substantially improved workflow integration. The modernized code preserves backward compatibility with legacy CEA input workflows while enabling direct use from modern analysis environments, including Python, C, MATLAB, and automated design studies.

Mark K Leader

Updates and Modernization of the Chemical Equilibrium with Applications (CEA) Code

NASA’s Chemical Equilibrium with Applications (CEA) code is a foundational tool for propulsion system analysis. It provides equilibrium chemistry, rocket performance, shock, and detonation calculations used across NASA and the broader aerospace community. NASA Engineering and Safety Center (NESC) Activity TI-22-01730 modernized the legacy CEA2 Fortran code into CEA v3, a Fortran 2008, object-oriented software package with expanded interface support, updated thermochemical data, improved maintainability, and substantially improved workflow integration. The modernized code preserves backward compatibility with legacy CEA input workflows while enabling direct use from modern analysis environments, including Python, C, MATLAB, and automated design studies.

Combustion

Comparison of the CEAS and Williams-type barley yield models for North Dakota and Minnesota

The CEAS and Williams type models were compared based on specified selection criteria which includes a ten year bootstrap test (1970-1979). Based on this, the models were quite comparable; however, the CEAS model was slightly better overall. The Williams type model seemed better for the 1974 estimates. Because that year spring wheat yield was particularly low, the Williams type model should not be excluded from further consideration.

Leduc, S.

Evaluation of the CEAS model for barley yields in North Dakota and Minnesota

The CEAS yield model is based upon multiple regression analysis at the CRD and state levels. For the historical time series, yield is regressed on a set of variables derived from monthly mean temperature and monthly precipitation. Technological trend is represented by piecewise linear and/or quadriatic functions of year. Indicators of yield reliability obtained from a ten-year bootstrap test (1970-79) demonstrated that biases are small and performance as indicated by the root mean square errors are acceptable for intended application, however, model response for individual years particularly unusual years, is not very reliable and shows some large errors. The model is objective, adequate, timely, simple and not costly. It considers scientific knowledge on a broad scale but not in detail, and does not provide a good current measure of modeled yield reliability.

Barnett, T. L.

Evaluation of the CEAS trend and monthly weather data models for soybean yields in Iowa, Illinois, and Indiana

The CEAS models evaluated use historic trend and meteorological and agroclimatic variables to forecast soybean yields in Iowa, Illinois, and Indiana. Indicators of yield reliability and current measures of modeled yield reliability were obtained from bootstrap tests on the end of season models. Indicators of yield reliability show that the state models are consistently better than the crop reporting district (CRD) models. One CRD model is especially poor. At the state level, the bias of each model is less than one half quintal/hectare. The standard deviation is between one and two quintals/hectare. The models are adequate in terms of coverage and are to a certain extent consistent with scientific knowledge. Timely yield estimates can be made during the growing season using truncated models. The models are easy to understand and use and are not costly to operate. Other than the specification of values used to determine evapotranspiration, the models are objective. Because the method of variable selection used in the model development is adequately documented, no evaluation can be made of the objectivity and cost of redevelopment of the model.

French, V.

One Dimensional Analysis Model of a Condensing Spray Chamber Including Rocket Exhaust Using SINDA/FLUINT and CEA

Modeling droplet condensation via CFD codes can be very tedious, time consuming, and inaccurate. CFD codes may be tedious and time consuming in terms of using Lagrangian particle tracking approaches or particle sizing bins. Also since many codes ignore conduction through the droplet and or the degradating effect of heat and mass transfer if noncondensible species are present, the solutions may be inaccurate. The modeling of a condensing spray chamber where the significant size of the water droplets and the time and distance these droplets take to fall, can make the effect of droplet conduction a physical factor that needs to be considered in the model. Furthermore the presence of even a relatively small amount of noncondensible has been shown to reduce the amount of condensation. It is desirable then to create a modeling tool that addresses these issues. The path taken to create such a tool is illustrated. The application of this tool and subsequent results are based on the spray chamber in the Spacecraft Propulsion Research Facility (B2) located at NASA's Plum Brook Station that tested an RL-10 engine. The platform upon which the condensation physics is modeled is SINDAFLUINT. The use of SINDAFLUINT enables the ability to model various aspects of the entire testing facility, including the rocket exhaust duct flow and heat transfer to the exhaust duct wall. The ejector pumping system of the spray chamber is also easily implemented via SINDAFLUINT. The goal is to create a transient one dimensional flow and heat transfer model beginning at the rocket, continuing through the condensing spray chamber, and finally ending with the ejector pumping system. However the model of the condensing spray chamber may be run independently of the rocket and ejector systems detail, with only appropriate mass flow boundary conditions placed at the entrance and exit of the condensing spray chamber model. The model of the condensing spray chamber takes into account droplet conduction as well as the degrading effect of mass and heat transfer due to the presence of noncondensibles. The one dimension model of the condensing spray chamber makes no presupposition on the pressure profile within the chamber, allowing the implemented droplet physics of heat and mass transfer coupled to the SINDAFLUINT solver to determine a transient pressure profile of the condensing spray chamber. Model results compare well to the RL-10 engine pressure test data.

Chemical Equilibrium

One Dimensional Analysis Model of a Condensing Spray Chamber Including Rocket Exhaust Using SINDA/FLUINT and CEA

Modeling droplet condensation via CFD codes can be very tedious, time consuming, and inaccurate. CFD codes may be tedious and time consuming in terms of using Lagrangian particle tracking approaches or particle sizing bins. Also since many codes ignore conduction through the droplet and or the degradating effect of heat and mass transfer if noncondensible species are present, the solutions may be inaccurate. The modeling of a condensing spray chamber where the significant size of the water droplets and the time and distance these droplets take to fall, can make the effect of droplet conduction a physical factor that needs to be considered in the model. Furthermore the presence of even a relatively small amount of noncondensible has been shown to reduce the amount of condensation [Ref 1]. It is desirable then to create a modeling tool that addresses these issues. The path taken to create such a tool is illustrated. The application of this tool and subsequent results are based on the spray chamber in the Spacecraft Propulsion Research Facility (B2) located at NASA's Plum Brook Station that tested an RL-10 engine. The platform upon which the condensation physics is modeled is SINDAFLUINT. The use of SINDAFLUINT enables the ability to model various aspects of the entire testing facility, including the rocket exhaust duct flow and heat transfer to the exhaust duct wall. The ejector pumping system of the spray chamber is also easily implemented via SINDAFLUINT. The goal is to create a transient one dimensional flow and heat transfer model beginning at the rocket, continuing through the condensing spray chamber, and finally ending with the ejector pumping system. However the model of the condensing spray chamber may be run independently of the rocket and ejector systems detail, with only appropriate mass flow boundary conditions placed at the entrance and exit of the condensing spray chamber model. The model of the condensing spray chamber takes into account droplet conduction as well as the degrading effect of mass and heat transfer due to the presence of noncondensibles. The one dimension model of the condensing spray chamber makes no presupposition on the pressure profile within the chamber, allowing the implemented droplet physics of heat and mass transfer coupled to the SINDAFLUINT solver to determine a transient pressure profile of the condensing spray chamber. Model results compare well to the RL-10 engine pressure test data.

Condensing Spray Model

Applications of CELSS technology to controlled environment agriculture

Controlled environment agriculture (CEA) is defined as the use of environmental manipulation for the commercial production of organisms, whether plants or animals. While many of the technologies necessary for aquaculture systems in North America is nevertheless doubling approximately every five years. Economic, cultural, and environmental pressures all favor CEA over field production for many non-commodity agricultural crops. Many countries around the world are already dependent on CEA for much of their fresh food. Controlled ecological life support systems (CELSS), under development at ARC, KSC, and JSC expand the concept of CEA to the extent that all human requirements for food, oxygen, and water will be provided regenerated by processing of waste streams to supply plant inputs. The CELSS will likely contain plants, humans, possibly other animals, microorganisms and physically and chemical processors. In effect, NASA will create engineered ecosystems. In the process of developing the technology for CELSS, NASA will develop information and technology which will be applied to improving the efficiency, reliability, and cost effectiveness for CEA, improving its resources recycling capabilities, and lessening its environmental impact to negligible levels.

Bates, Maynard E.

Computer Program for Calculation of Complex Chemical Equilibrium Compositions and Applications II. Users Manual and Program Description: Users Manual and Program Description - 2

This users manual is the second part of a two-part report describing the NASA Lewis CEA (Chemical Equilibrium with Applications) program. The program obtains chemical equilibrium compositions of complex mixtures with applications to several types of problems. The topics presented in this manual are: (1) details for preparing input data sets; (2) a description of output tables for various types of problems; (3) the overall modular organization of the program with information on how to make modifications; (4) a description of the function of each subroutine; (5) error messages and their significance; and (6) a number of examples that illustrate various types of problems handled by CEA and that cover many of the options available in both input and output. Seven appendixes give information on the thermodynamic and thermal transport data used in CEA; some information on common variables used in or generated by the equilibrium module; and output tables for 14 example problems. The CEA program was written in ANSI standard FORTRAN 77. CEA should work on any system with sufficient storage. There are about 6300 lines in the source code, which uses about 225 kilobytes of memory. The compiled program takes about 975 kilobytes.

McBride, Bonnie J.

Study of pharmaceutical industrial problems

The growth of a human colon carcinoma cell line (SK-CO-1) and its production of carcinoembryonic antigen (CEA) in monolayer culture and on single layers of glass beads in unit gravity were evaluated. The limitations of using a microsphere-cell growth system in unit gravity were identified and how these may be overcome in space was considered. The project had the following tasks: (1) growth of cultured human colon carcinoma cells on a monolayer and CEA production; (2) evaluation of CEA production and release by SK-CO-1 cells grown on glass beads; (3) evaluation of other microcarriers for growing SK-CO-1 cells and determination of the minimum amount of culture medium needed for cell growth; and (4) growth of SK-CO-1 cells on collagen monolayers and CEA production.

Pincus, J. H.