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Opportunity at National Institute of Standards and Technology (NIST)

Thermodynamics of Gas Mixtures for Industry and Environment

Location

Material Measurement Laboratory, Applied Chemicals and Materials Division

RO# Location
50.64.72.B5221 Boulder, CO

Please note: This Agency only participates in the February and August reviews.

Advisers

Name E-mail Phone
Harvey, Allan Herbert aharvey@boulder.nist.gov 303.497.3555
McLinden, Mark O markm@boulder.nist.gov 303.497.3580

Description

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.

 

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

Eligibility

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