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RAP opportunity at National Institute of Standards and Technology     NIST

Thermodynamics of Gas Mixtures for Industry and Environment


Material Measurement Laboratory, Applied Chemicals and Materials Division

opportunity location
50.64.72.B5221 Boulder, CO

NIST only participates in the February and August reviews.


name email phone
Allan Herbert Harvey 303.497.3555
Mark O McLinden 303.497.3580


The thermodynamics of gaseous mixtures has a variety of applications ranging from humidity standards to the design of turbines for power generation. Advanced concepts for reduced-carbon power generation involve compressed gas mixtures containing water, carbon dioxide, and other common gases; accurate thermophysical properties over wide ranges of temperature are important for the design of such systems. In most cases, the key parameters are the virial coefficients (deviations from ideal gas) for the unlike molecular pairs. Reliable data for such systems are scarce. Our effort to produce virial coefficients has two complementary components. On the theoretical side, quantum-mechanical methods are used to derive accurate potential energy surfaces between molecules of industrial importance. The virial coefficients at any temperature of interest can then be obtained from statistical mechanics with accuracy limited only by the quality of the potential. On the experimental side, we can make precise density measurements at temperatures up to 773 K which can be used to validate (and in some cases calibrate) the theoretically calculated values.


key words
Advanced power cycles; Carbon dioxide sequestration; Computational chemistry; Equations of state; Experimental measurements; Thermophysical properties; Virial coefficients;


Citizenship:  Open to U.S. citizens
Level:  Open to Postdoctoral applicants


Base Stipend Travel Allotment Supplementation
$82,764.00 $3,000.00
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