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Applied Geology and Geochemistry

Praveen Thallapally

Praveen Thallapally

Pacific Northwest National Laboratory
PO Box 999
Richland, WA 99352

Biography

Dr. Thallapally was a post-doctoral research associate (2003 to mid-2006) at the University of Missouri-Columbia with Professor Jerry L. Atwood where he developed nonporous crystals, which transport neutral and charged species across the crystal despite the lack of channels (Angew. Chem. 2006, Angew. Chem. 2006, Chem. Comm. 2006, and Science 2005 highlight). Dr. Thallapally also developed a new class of compounds called frustrated organic solids for gas storage and separation (JACS 2006).

Research Interests

  • Carbon management and global warming
  • Crystal engineering, supramolecular chemistry and nanotechnology
  • Gas storage and separation
  • Carbon capture and hydrogen storage
  • Water purification
  • Solid-state phase transformations
  • Polymorphism, supramolecular isomorphism and isostructurality
  • Single-crystal X-ray and powder diffraction
  • Gas hydrates
  • Sensor applications
  • Second harmonic generation and nonlinear optical applications
  • Super-phase change materials

Education and Credentials

  • Ph. D., Crystal Engineering, University of Hyderabad, 2002
  • M.S., Physical-Organic Chemistry, Osmania University, 1997
  • B.S., Chemistry, Osmania University, 1995

Affiliations and Professional Service

  • Member of American Chemical Society
  • Peer reviewer for Crystal Growth & Design (ACS), Royal Society of Chemistry and Chem. Eur. J. (Wiley)

Awards and Recognitions

  • 2008. “Ronald L. Brodzinski Award for Early Career Exceptional Achievement”

PNNL Publications

2009

  • Daschbach JL, X Sun, TM Chang, PK Thallapally, BP McGrail, and LX Dang. 2009. "Computational studies of load-dependent guest dynamics and free energies of inclusion for CO2 in low-density p-tert-butylcalix[4]arene at loadings up to 2:1 ." Journal of Physical Chemistry A 113(14):3369-3374.  doi:10.1021/jp808490g
  • Tian J, PK Thallapally, SJ Dalgarno, BP McGrail, and JL Atwood. 2009. "Amorphous Molecular Organic Solids for Gas Adsorption." Angewandte Chemie International Edition 48(30):5492 5495. 
  • Tian J, SJ Dalgarno, PK Thallapally, and JL Atwood. 2009. "Increased control over the frustration of p-tert-butylcalix[5]arene." CrystEngComm 11:33-35.  doi:10.1039/b813628a

2008

  • Thallapally PK, BP McGrail, SJ Dalgarno, and JL Atwood. 2008. "Gas/solvent-induced transformation and expansion of a nonporous solid to 1:1 host guest form." Crystal Growth & Design 8(7):2090-2092.  doi:10.1021/cg800347n
  • Thallapally PK, BP McGrail, SJ Dalgarno, HT Schaef, J Tian, and JL Atwood. 2008. "Gas-Induced Transformation and Expansion of a Non-Porous Organic Solid." Nature Materials 7(2):146-150.  doi:10.1038/nmat2097
  • Thallapally PK, J Tian, RK Motkuri, CA Fernandez, SJ Dalgarno, BP McGrail, JE Warren, and JL Atwood. 2008. "Flexible (Breathing) Interpenetrated Metal-Organic Frameworks for CO2 Separation Applications." Journal of the American Chemical Society 130(50):1684216843.  doi:10.1021/ja806391k
  • Dalgarno S, PK Thallapally, J Tian, and JL Atwood. 2008. "Pseudo-polymorphism in the toluene solvate of p-tert-butylcalix[5]arene: Structural and gas sorption investigations." New Journal of Chemistry 32(12):2095-2099.  doi:10.1039/b809457h
  • Daschbach JL, PK Thallapally, BP McGrail, and LX Dang. 2008. "Dynamics and free energies of CH4 and CO2 in the molecular solid of the p-tert-butylcalix[4]arene." Chemical Physics Letters 453(4-6):123-128.  doi:10.1016/j.cplett.2008.01.031

2007

  • Thallapally PK, BP McGrail, and JL Atwood. 2007. "Sorption of nitrogen oxides in a nonporous crystal." Chemical Communications (15):1521-1523.  doi:10.1039/b617340c
  • Thallapally PK, BP McGrail, JL Atwood, C Gaeta, and P Neri. 2007. "Carbon Dioxide Capture in a Self-Assembled Organic Nanochannels." Chemistry of Materials 19(14):3355-3357.  doi:10.1021/cm0709121
  • Thallapally PK, KA Kirby, and JL Atwood. 2007. "Comparison of porous and nonporous materials for methane storage." New Journal of Chemistry 31(5):628-630.  doi:10.1039/b610321a
  • Dalgarno SJ, PK Thallapally, LJ Barbour, and JL Atwood. 2007. "Engineering void space in organic van der Waals crystals: calixarenes lead the way." Chemical Society Reviews 36(2):236-245.  doi:10.1039/b606047c
  • Daschbach JL, PK Thallapally, JL Atwood, BP McGrail, and LX Dang. 2007. "Free energies of CO2/H-2 capture by p-tert-butylcalix[4]arene. A molecular dynamics study." Journal of Chemical Physics 127(10):Art. No. 104702. 

2006

  • Thallapally PK, LB Dobrzanska, TR Gingrich, TB Wirsig, LJ Barbour, and JL Atwood. 2006. "Acetylene absorption and binding in nonporous crystal lattice." Angewandte Chemie International Edition 45(39):6506-6509.  doi:10.1002/anie.200601391
  • Thallapally PK, SJ Dalgarno, and JL Atwood. 2006. "Frustrated Organic Solids Display Unexpected Gas Sorption." Journal of the American Chemical Society 128(47):15060-15061.  doi:10.1021/ja065499x

Applied Geology and Geochemistry

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