Chemical and biochemical space manufacturing
Chemical and biochemical space manufacturing using scaling laws and Gibbs functions
Kober, C. L.↗
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Astrodynamics. Volume 1 - Orbit determination, space navigation, celestial mechanics.
Essential navigational, physical, and mathematical problems of space exploration are covered. The introductory chapters dealing with conic sections, orientation, and the integration of the two-body problem are followed by an introduction to orbit determination and design. Systems of units and constants, as well as ephemerides, representations, reference systems, and data are then dealt with. A detailed attention is given to rendezvous problems and to differential processes in observational orbit correction, and in rendezvous or guidance correction. Finally, the Laplacian methods for determining preliminary orbits, and the orbit methods of Lagrange, Gauss, and Gibbs are reviewed.
Herrick, S.↗
Statistical mechanics of negative temperature states
The dynamics of two-dimensional interacting line vortices is identical to that of the two-dimensional electrostatic guiding center plasma. Both are Hamiltonian systems and are therefore susceptible to statistical mechanical treatments. The predictions of the microcanonical ensemble are explored for this system. Interest focuses primarily on the regime of total positive interaction energy, which should be above the Onsager negative temperature threshold. Calculations of the probability distribution for a component by means of the central limit theorem are carried out in the manner of Khinchin. The probability distribution of a component reduced to the usual Gibbs distribution in the regime of positive temperatures, and is still explicitly calculable for negative temperatures. The negative temperature states are neither quiescent nor spatially uniform. Expressions for the temperature are explicitly provided in terms of the total particle energy and particle number. A BBGKY hierarchy can be derived for both temperature regimes. Numerical simulations involving solutions of the equations of motion of 4008 particles are presented.
Montgomery, D. C.↗
Mg/2+/-Fe/2+/ order-disorder in cummingtonite, /Mg, Fe/7Si8O22/OH/2 - A new geothermometer.
Determination of the temperature dependence of the Mg(2+)-Fe(2+) distribution between the M4 site and the M1, M2 and M3 sites in magnesium-rich cummingtonites by Fe-57 Mossbauer resonance spectroscopy. For the basic reversible ion-exchange reaction involved, the Gibbs free energy is estimated to be 3.6 to 4.1 kcal/mole, assuming an ideal solution model at each set of sites. The crystallization temperatures of two cummingtonite-bearing metamorphosed ultrabasic rocks are estimated to be 265 and 290 deg C. The Mossbauer resonance spectra are found to be an effective basis for detecting changes in site occupancies as a function of temperature.
Ghose, S.↗
Melting of iron by significant structure theory
From Eyring's method of significant structures, a partition function is derived for liquid iron. The solid at high temperature is described in the Einstein approximation. Magnetic and electronic contributions to the thermodynamic properties of both the liquid and solid phases are considered. The model is compatible with properties (thermal expansion, compressibility, heat capacity, entropy of melting, and volume change on melting) at one atm. The melting temperature at high pressure is found by satisfying the requirement that the Gibbs free energies of the liquid and solid phases are equal at the melting temperature. Under conditions at the earth's core-mantle boundary, the melting temperature of iron is greater than approximately 5000 K, and under inner-outer core conditions the melting temperature is greater than approximately 7000 K. These estimates are consistent with the Lindemann melting law, but not with the Kraut-Kennedy melting law.
Leppaluoto, D. A.↗
Recent improvements to BANDIT
The NASTRAN preprocessor BANDIT, which improves NASTRAN's computer efficiency by resequencing grid point labels for reduced matrix bandwidth is described. The addition of (1) the Gibbs-Poole-Stockmeyer (GPS) algorithm, and (2) the user option to reduce matrix profile rather than matrix bandwidth is also described. It is shown that, compared to the Cuthill-McKee algorithm on which BANDIT was originally based, GPS is faster and achieves similar results. Current capabilities and options of BANDIT are summarized.
Everstine, G. C.↗
Irreversibility
The principles of thermodynamics in relation to the irreversibility of real processes in nature are examined, taking into account an analogy used by Gibbs to present a picture concerning the time evolution of a complicated dynamical system. The significance of quantum-mechanics relations with respect to irreversibility considerations is explored. It is shown that quantum mechanical uncertainties are not necessarily required to obtain irreversibility.
Lamb, W. E., Jr.↗
Lattice model theory of the equation of state covering the gas, liquid, and solid phases
The three stable states of matter and the corresponding phase transitions were obtained with a single model. Patterned after Lennard-Jones and Devonshires's theory, a simple cubic lattice model containing two fcc sublattices (alpha and beta) is adopted. The interatomic potential is taken to be the Lennard-Jones (6-12) potential. Employing the cluster variation method, the Weiss and the pair approximations on the lattice gas failed to give the correct phase diagrams. Hybrid approximations were devised to describe the lattice term in the free energy. A lattice vibration term corresponding to a free volume correction is included semi-phenomenologically. The combinations of the lattice part and the free volume part yield the three states and the proper phase diagrams. To determine the coexistence regions, the equalities of the pressure and Gibbs free energy per molecule of the coexisting phases were utilized. The ordered branch of the free energy gives rise to the solid phase while the disordered branch yields the gas and liquid phases. It is observed that the triple point and the critical point quantities, the phase diagrams and the coexistence regions plotted are in good agreement with the experimental values and graphs for argon.
Bonavito, N. L.↗
Tables and charts of equilibrium thermodynamic properties of ammonia for temperatures from 500 to 50,000 K.
Equilibrium thermodynamic properties for pure ammonia were generated for a range of temperature from 500 to 50,000 K and pressure from 0.01 to 40 MN/sq m and are presented in tabulated and graphical form. Properties include pressure, temperature, density, enthalpy, speed of sound, entropy, molecular-weight ratio, specific heat at constant pressure, specific heat at constant volume, isentropic exponent, and species mole fractions. These properties were calculated by the method which is based on minimization of the Gibbs free energy. The data presented herein are for an 18-species ammonia model. Heats of formation and spectroscopic constants used as input data are presented. Comparison of several thermodynamic properties calculated with the present program and a second computer code is performed for a range of pressure and for temperatures up to 30,000 K.
Simmonds, A. L.↗
Solid Polymer Electrolyte (SPE) fuel cell technology program
Many previously demonstrated improved fuel cell features were consolidated to (1) obtain a better understanding of the observed characteristics of the operating laboratory-sized cells; (2) evaluate appropriate improved fuel cell features in 0.7 sq ft cell hardware; and (3) study the resultant fuel cell capability and determine its impact on various potential fuel cell space missions. The observed performance characteristics of the fuel cell at high temperatures and high current densities were matched with a theoretical model based on the change in Gibbs free energy voltage with respect to temperature and internal resistance change with current density. Excellent agreement between the observed and model performance was obtained. The observed performance decay with operational time on cells with very low noble metal loadings (0.05 mg/sq cm) were shown to be related to loss in surface area. Cells with the baseline amount of noble catalyst electrode loading demonstrated over 40,000 hours of stable performance.
Source record↗
Reduction of matrix wavefront for NASTRAN
The three grid point resequencing algorithms most often run by NASTRAN users are compared for their ability to reduce matrix root-mean-square (rms) wavefront, which is the most critical parameter in determining matrix decomposition time in NASTRAN. The three algorithms are Cuthill-McKee (CM), Gibbs-Poole-Stockmeyer (GPS), and Levy. The first two (CM and GPS) are in the BANDIT program, and the Levy algorithm is in WAVEFRONT. Results are presented for a diversified collection of 30 test problems ranging in size from 59 to 2680 nodes. It is concluded that GPS is exceptionally fast and, for the conditions under which the test was made, the algorithm best able to reduce rms wavefront consistently well.
Everstine, G. C.↗
Process feasibility study in support of silicon material task 1
Process system properties are analyzed for materials involved in the alternate processes under consideration for solar cell grade silicon. The following property data are reported for trichlorosilane: critical constants, vapor pressure, heat of vaporization, gas heat capacity, liquid heat capacity, density, surface tension, viscosity, thermal conductivity, heat of formation, and Gibb's free energy of formation. Work continued on the measurement of gas viscosity values of silicon source materials. Gas phase viscosity values for silicon tetrafluoride between 40 C and 200 C were experimentally determined. Major efforts were expended on completion of the preliminary economic analysis of the silane process. Cost, sensitivity and profitability analysis results are presented based on a preliminary process design of a plant to produce 1,000 metric tons/year of silicon by the revised process.
Li, K. Y.↗
Process Feasibility Study in Support of Silicon Material, Task 1
During this reporting period, major activies were devoted to process system properties, chemical engineering and economic analyses. Analyses of process system properties was continued for materials involved in the alternate processes under consideration for solar cell grade silicon. The following property data are reported for silicon tetrafluoride: critical constants, vapor pressure, heat of varporization, heat capacity, density, surface tension, viscosity, thermal conductivity, heat of formation and Gibb's free energy of formation. Chemical engineering analysis of the BCL process was continued with primary efforts being devoted to the preliminary process design. Status and progress are reported for base case conditions; process flow diagram; reaction chemistry; material and energy balances; and major process equipment design.
Li, K. Y.↗
Process Feasibility Study in Support of Silicon Material Task 1
Analysis of process system properties was continued for silicon source materials under consideration for producing silicon. The following property data are reported for dichlorosilane which is involved in processing operations for silicon: critical constants, vapor pressure, heat of vaporization, heat capacity, density, surface tension, thermal conductivity, heat of formation and Gibb's free energy of formation. The properties are reported as a function of temperature to permit rapid engineering usage. The preliminary economic analysis of the process is described. Cost analysis results for the process (case A-two deposition reactors and six electrolysis cells) are presented based on a preliminary process design of a plant to produce 1,000 metric tons/year of silicon. Fixed capital investment estimate for the plant is $12.47 million (1975 dollars) ($17.47 million, 1980 dollars). Product cost without profit is 8.63 $/kg of silicon (1975 dollars)(12.1 $/kg, 1980 dollars).
Li, K. Y.↗
Two-dimensional magnetohydrodynamic turbulence - Cylindrical, non-dissipative model
Incompressible magnetohydrodynamic turbulence is treated in the presence of cylindrical boundaries which are perfectly conducting and rigidly smooth. The model treated is non-dissipative and two-dimensional, the variation of all quantities in the axial direction being ignored. Equilibrium Gibbs ensemble predictions are explored assuming the constraint of constant axial current (appropriate to tokamak operation). No small-amplitude approximations are made. The expectation value of the turbulent kinetic energy is found to approach zero for the state of maximum mean-square vector potential to energy ratio. These are the only states for which large velocity fluctuations are not expected.
Montgomery, D.↗
Industrial potential, uses, and performance of sputtered and ion plated films
The sputtering and ion plating technology is reviewed in terms of potential, uses, and performance. Sputtering is not regulated by classical thermodynamics and Gibb's phase rule relationships, thus eliminating the restrictions for materials combinations, and consequently making possible tailoring of coatings in any preferred chemical combination. The future of sputtered and ion plated films for industrial applications is expected to depend primarily on greater comprehension of materials selection, and the utilization of the proper deposition parameters.
Spalvins, T.↗
A two phase Mach number description of the equilibrium flow of nitrogen in ducts
Some additional thermodynamic properties of the usual two-phase form which is linear in the moisture fraction are derived which are useful in the analysis of many kinds of duct flow. The method used is based on knowledge of the vapor pressure and Gibbs function as functions of temperature. With these, additional two-phase functions linear in moisture fraction are generated, which ultimately reveal that the squared ratio of mixture specific volume to mixture sound speed depends on liquid mass fraction and temperature in the same manner as do many weighted mean two-phase properties. This leads to a simple method of calculating two-phase Mach numbers for various duct flows. The matching of one- and two-phase flows at a saturated vapor point with discontinuous Mach number is also discussed.
Bursik, J. W.↗
Comparison between thermochemical and phase stability data for the quartz-coesite-stishovite transformations
Phase stability and elasticity data have been used to calculate the Gibbs free energy, enthalpy, and entropy changes at 298 K and 1 bar associated with the quartz-coesite and coesite-stishovite transformations in the system SiO2. For the quartz-coesite transformation, these changes disagree by a factor of two or three with those obtained by calorimetric techniques. The phase boundary for this transformation appears to be well determined by experiment; the discrepancy, therefore, suggests that the calorimetric data for coesite are in error. Although the calorimetric and phase stability data for the coesite-stishovite transformation yield the same transition pressure at 298 K, the phase-boundary slopes disagree by a factor of two. At present, it is not possible to determine which of the data are in error. Thus serious inconsistencies exist in the thermodynamic data for the polymorphic transformations of silica.
Weaver, J. S.↗