STC-ERSP Program Details

Principal Investigator: Vinayak N. Kabadi

Project Title: Thermodynamic Measurements and Models for CO2
Containing Systems (#9)  

Phone/Fax: (336)334-7564 / (336)334-7904
E-mail: kabadi@ncat.edu

Research Plan
Connectivity
Outreach Components
Additional Comments
Requested Budget Allocation - Year 1
Plans for Additional Funding

Research Plan

Overall objectives

Kabadi proposes to develop a multi-user laboratory at NC A&T University for thermodynamic measurements for systems containing carbon dioxide. Properties to be measured include vapor-liquid equilibria, heats of mixing, volumes of mixing and gas solubilities. The laboratory development will include some existing apparatuses supplemented by new purchases. A CO2 delivery system, and a cryogenic calorimeter (SETARAM model BT 2.15D ) will be purchased and installed. Systems for experimental measurements will be selected collectively by the researchers in the thrust area B ( Molecular Thermodynamics and Computer Simulations). Simultaneously, a data bank of thermodynamic data of CO2 containing systems will be generated and maintained. Sound thermodynamic models for CO2 containing systems will be researched, and developments will be proposed where necessary.

Relation to overall objectives of the Center
Thermodynamic data and reliable thermodynamic models are necessary for research progress in all the proposed thrust areas. In addition to carrying out measurements and model developments of his own interest, one of the objectives of Kabadi's work will be to provide a laboratory for basic thermodynamic measurements and to facilitate the availability of necessary thermodynamic data to all the researchers in the Center.

Approach and Year 1- Year 5 timelines Years 1-2: Purchase and installation of CO2 delivery system
Purchase and installation of SETARAM BT2.15D calorimeter
Construction of VLE apparatus for CO2 containing systems
Initiate VLE and heat of mixing measurements for selected systems
Initiate the development of the data bank for thermodynamic data on CO2 containing systems
Initiate thermodynamic model review for CO2 containing systems
Years 2-3: Construction of density and solubility measurement apparatuses
Completion of the thermodynamic data bank for CO2 containing systems
Completion of the thermodynamic model review
Years 3-5: VLE, heat of mixing, density and solubility measurements for different selected systems
Thermodynamic model development using the new data measurements and the thermodynamic data bank
Maintenance and operation of the thermodynamic measurements laboratory as a multi-user facility, and assisting other investigators and graduate students in the data measurements necessary for their research progress

Thrust area of this proposal
Thrust area B: Molecular Thermodynamics and Computer Simulations

Connectivity

Collaborators, multi-institutional, multi-disciplinary components
The investigators in thrust area B include Berkowitz, Rubinstein and Samulski (UNC-CH), Gubbins and Hall (NCSU), Johnston, Rossky and Sanchez (UT-Austin), Cochran (ORNL) and Kabadi (NCA&T). These researchers will work closely to identify the binary and multi-component systems of interest, and the types of thermodynamic measurements to be carried out for these systems. Investigators needing specific thermodynamic measurements for the progress of their individual research projects will be invited to send their graduate students to NCA&T and perform these measurements in the multi-user laboratory.

Related work in other thrust areas
The multi-user thermodynamic laboratory and the thermodynamic data bank operated and maintained by Kabadi will be available to investigators in all other thrust areas. Investigators in thrust area A (Interfacial and Colloid Science in Compressible Media), thrust area C (Rate Processes), and thrust area D (Chemistry and Catalysis) will have need for thermodynamic data and models for various CO2containing systems. They will use the facilities at NCA&T as the main resource to provide for these needs.

Sharing of resources (students, supplies, equipment, etc.)
The CO2 delivery system to be installed at NCA&T will be shared by all researchers at NCA&T. The thermodynamics measurements laboratory at NCA&T will serve as a multi-user facility and will be a resource for thermodynamics data measurements for the entire Center. The thermodynamics data bank for CO2-containing systems to be generated and maintained at A&T will also be available to all Center investigators.

Outreach Components

Suggested K-12 Outreach Ideas
The multi-user thermodynamics measurements laboratory will be available for demonstration and workshops for the benefit of local high school students. Some high school students will be invited to conduct small projects in the laboratory.

Additional Comments

Please contact Kabadi if any investigator has specific needs related to thermodynamic measurements and has valuable suggestions for the design of the thermodynamics laboratory.

Requested Budget Allocation - Year 1

Personnel salaries

         
Principal investigator: One summer month
   
Postdoctoral: None
   
Students: One full-time graduate student  
  and an undergraduate
  researcher
   
Equipment: Cryogenic chamber for the 
  delivery system, SETARAM BT
  2.15 calorimeter and
  CO2 accessories $120K
   
Materials and supplies  Anticipate that $6500 will be 
estimate: needed


Plans for Additional Funding

Funding agencies/programs and planned dates of submission:
1. DOE: Measurements of volumes of mixing in binary and ternary liquid mixtures containing CO2, in Spring, 2000
2. NSF: Complete Gibbs free energy function for highly polar mixtures, Spring, 2000


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last update: July 05, 2000

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