Lawrence R. Pratt

Dr. Lawrence R. Pratt, the Herman and George R. Brown Chair in Chemical Engineering, conducts research in thermodynamics and statistical thermodynamics, with applications in biological, interfacial and assembled systems, super-capacitors for electrical energy storage, and charge transport in solution, ion channels, batteries, and fuel cell membranes.

Dr. Pratt grew up in Flint, Michigan, attending Michigan State University until 1972. He subsequently obtained a PhD in Chemistry from the University of Illinois Urbana-Champaign (1977), followed by a post-doctoral appointment at Harvard University. Prior to joining Tulane University in 2008, he held appointments in Chemistry at the University of California (Berkeley) and as a Technical Staff Member at Los Alamos National Laboratory.

Dr. Pratt has authored some 180 peer-reviewed articles and book chapters and presented about 190 invited lectures. He has made ground-breaking contributions in the understanding of the immiscibility of oil and water, beginning with the inceptive paper “Theory of the Hydrophobic Effect” (Journal of Chemical Physics 1977), commonly referred to as Pratt-Chandler Theory. He has organized international symposia and workshops on a wide range of topics, including: electrostatic interactions, hydrophobic phenomena, and hydration. He has coauthored the monograph “The Potential Distribution Theorem and Models of Molecular Solutions” (Cambridge University Press 2006). Dr. Pratt has wide ranging collaborations, and a number of his former students and post-doctoral advises have gone on to research positions in Federal Laboratories as well as faculty appointments in Chemistry and Chemical Engineering departments. Dr. Pratt received the 2018 Joel Henry Hildebrand Award in the Theoretical and Experimental Chemistry of Liquids, sponsored by Exxon Mobil Research & Engineering administered by ACS. Dr. Pratt’s contributions to thermodynamics and liquid state theory have earned him an international reputation for scientific excellence befitting his appointment as the Herman and George R. Brown Chair in Chemical Engineering.

The Brown Chair was created by The Brown Foundation to support and advance Tulane University's teaching and research in chemical engineering. The Brown Foundation was established in 1951 by Margrett Root Brown, Herman Brown, Alice Pratt Brown, and George R. Brown. Herman and George Brown were chief officers of Brown and Root, Inc., one of the world’s largest construction and engineering firms. Through the Herman and George R. Brown Chair in Chemical Engineering, the Brown Foundation has enabled Tulane University to make a distinguished and lasting addition to its engineering faculty and thus to the quality of its teaching and research.

Research Interests

Statistical Mechanics and Thermodynamics, Molecular Theory of Liquids, Water and Aqueous Solutions Relevant to Molecular Biophysics, Molecular Simulation and Design of Electrical Energy Storage Materials

Publications

L. Tan, L. R. Pratt and M. I. Chaudhari: "Molecular-scale Description of Span80 Desorption from the Squalane-Water Interface." (arXiv:1603.04033v1, [physics.chem-ph, see also DOI: 10.6084/m9.figshare.3114928]

M. Oguntoye, M. Johnson, L. R. Pratt, N. S. Pesika, ACS Applied Materials & Interfaces 8, 27454-27457 (2016): "Triboelectricity Generation from Vertically Aligned Carbon Nanotube Arrays."

M. I. Chaudhari, J. Nair, L. R. Pratt, F. Soto, P. Balbuena, S. B. Rempe, J. Chem. Theory & Comp. (2016): "Scaling Atomic Partial Charges of Carbonate Solvents for Lithium Ion Solvation and Diffusion." (DOI: 10.1021/acs.jctc.6b00824)

L. R. Pratt, M. I. Chaudhari, and S. B. Rempe, J. Phys. Chem. B (2016): "Statistical Analyses of Hydrophobic Interactions: A Mini-Review." (DOI: 10.1021/acs.jpcb.6b04082)

M. I. Chaudhari, S. B. Rempe, D. Asthagiri, and L. Tan, L. R. Pratt, J. Phys. Chem. B (2015): "Molecular Theory and the Effects of Solute Attractive Forces on Hydrophobic Interactions." (DOI: 10.1021.acs.jpcb.5b09552)

X. You, M. I. Chaudhari, S. B. Rempe, and L. R. Pratt, J. Phys. Chem B (2015): "Dielectric Relaxation of Ethylene Carbonate and Propylene Carbonate from Molecular Dynamics Simulations." (DOOI: 10.1021/acs.jpcb.5b09561)

X. You, M. I. Chaudhari, S. B. Rempe, and L. R. Pratt, ECS Transactions, 69, 107-111 (2015): "Dielectric Properties of Ethylene Carbonate and Propylene Carbonate using Molecular Dynamic Simulations."

W. Zhang and L. R. Pratt, ECS Transactions, 66, 1-5 (2015): "AIMD Results for a Concentrated Solution of Tetra-ethylammonium Tetra-fluoroborate in Propylene Carbonate."

X. You, L. R. Pratt, and S. W. Rick: "The role of attractive interactions in the dynamics of molecules in liquid," arXiv:1411.1773 [physics.chem-ph] (2014)

L. R. Pratt Encyclopedia of Astrobiology, Springer-Verlag, Berlin (2014): "Hydrophobic Effect," DOI 10.1007/978-3-642-27833-4_704-3

M. I. Chaudhari, L. R. Pratt, and M. E. Paulaitis, J. Chem. Phys. 141, 244908 (2014): "Concentration dependence of the Flory-Huggins Interaction parameter in aqueous solutions of capped PEO chains." http://dx.doi.org/10.1063/1.4904386

M. I. Chaudhari, D. Sabo, L. R. Pratt, and S. B. Rempe, J. Phys. Chem. B (2014): "Hydration of Kr(aq) in dilute and concentrated solutions." DOI: 10.1021/jp508866h

M. I. Chaudhari, L. R. Pratt, and M. E. Paulaitis, J. Phys. Chem. B (2014): "Loop-Closure and Gaussian Models of Collective Structural Characteristics of Capped PEO Oligomers in Water." DOI: 10.1021/jp504244x

M. I Chaudhari and L. R. Pratt, OIL SPILL REMEDIATION: COLLOID CHEMISTRY-BASED PRINCIPLES AND SOLUTIONS, pp. 247-257, editors P. Somasundaran, R. S. Farinato, P. Patra, and K. Papadopoulos (John Wiley & Sons, Hoboken New Jersey, 2014): "Microstructures of capped ethylene oxide oligomers in water and n-hexane." [See: http://arxiv.org/abs/1303.6597 and http://dx.doi.org/10.6084/m9.figshare.3123898.v1.]

X. You, M. I. Chaudhari, and L. R. Pratt, AQUA INCOGNITA, pp. 434-442, editors B. W. Ninham and P. Lo Nostro (Connor Court Publishing Pty Ltd., 2014): "Comparison of Mechanical and Thermodynamical Evaluations of Electrostatic Potential Differences Between Electrolyte Solutions."

X. You, M. I. Chaudhari, L. R. Pratt, N. Pesika, K. M. Aritakula, and S. W. Rick, J. Chem. Phys. 138, 114708 (2013): "Interfaces of Propylene Carbonate."

D. Sabo, D. Jiao, S. Varma, L. R. Pratt, and S. B. Rempe, Annu. Rep. Prog. Chem. Soc. C (2013): "Case Study of Rb+(aq), Quasi-Chemical Theory of Ion Hydration, and the No Split Occupancies Rule." DOI: 10.1039/C3PC90011H [See also: http://arxiv.org/abs/1303.3210]

M. I. Chaudhari, S. Holleran, H. S. Ashbaugh, and L. R. Pratt, Proc. Natl. Acad. Sci. USA 110, 20557-20562 (2013): "Molecular-Scale Hydrophobic Interactions Between Hard-Sphere Reference Solutes Are Attractive and Endothermic." [See also: http://arxiv.org/abs/1303.6597v1]

W. Zhang, X. You, and L. R. Pratt, J. Phys. Chem. B DOI: 10.1021/jp410310m (2013): "Multi-scale theory in the molecular simulation of electrolyte solutions."

D. M. Rogers, D. Jiao, L. R. Pratt, and S. B. Rempe, Ann. Rep. Comp. Chem. 8, 71-128 (2012): "Structural Models and Molecular Thermodynamics of Hydration of Ions and Small Molecules."

A. Pohorille and L. R. Pratt, Origin of Life and Evolution of Biospheres 42, (2012): "Is Water the Universal Solvent for Life?" [See also: L. R. Pratt, A. Pohorille, and D. Asthagiri, http://arxiv.org/abs/physics/0701282: "What Is Special About Water as a Matrix of Life?"]

P. Zhu, L. R. Pratt, and K. D. Papadopoulos, J. Chem. Phys. 137, 174501(2012): "Pairing of 1-Hexyl-3-Methylimidazolium and Tetrauoroborate Ions in N-Pentanol."

P. Zhu, X. You, L. R. Pratt, and K. D. Papadopoulos, J. Chem. Phys., 134 054502(2011): "Generalizations of the Fuoss Approximation for Ion Pairing."

L. J. Thibodeaux, K. T. Valsaraj, V. T. John, K. D. Papadopoulos, L. R. Pratt, and N. S. Pesika, Environmental Engineering Science, 28 87-93(2011): "Marine Oil Fate: Knowledge Gaps, Basic Research, and Development Needs; A Perspective Based on the Deepwater Horizon Spill."

S. Varma, D. M. Rogers, L. R. Pratt, and S. B. Rempe, J. Gen. Physiol. 137, 479-488 (2011): "Design Principles for K+ Selectivity in Membrane Transport."

M. Hamsa Priya, L. R. Pratt, and M. E. Paulaitis, Langmuir 27, 13713-13718 (2011): "Effect of PEG End-Group Hydrophobicity on Lysozyme Interactions in Solution Characterized by Light Scattering."

J. D. Weeks and L. R. Pratt, J. Stat. Phys. 145, 207-208(2011): "Introduction to Special Issue on Water and Associated Liquids."

L. R. Pratt, D. Asthagiri, and S. B. Rempe, LA-UR-05-5986: "Momentum Truncation Errors and Inferences of Li+ Hydration Number on the Basis of Neutron Diffraction from Aqueous Solutions."

D. Asthagiri, P. D. Dixit, S. Merchant, M. E. Paulaitis, L. R. Pratt, S. B. Rempe, and S. Varma, Chem. Phys. Letts. (Frontier Article with cover graphics) 485, 1-7 (2010): "Ion Selectivity from Local Configurations of Ligands."

L. Yang, B. H. Fishbine, A. Migliori, L. R. Pratt, J. Chem. Phys. 132, 044701(2010): "Dielectric Saturation of Liquid Propylene Carbonate in Electrical Energy Storage Applications." [See also: February 1, 2010 Issue of Virtual Journal of Nanoscale Science & Technology]

S. Chempath, L. R. Pratt and M. E. Paulaitis, Chem. Phys. Letts., 487, 24{27(2010): "Distributions of Extreme Contributions to Binding Energies of Molecules in Liquids."

A. C. Beveridge, J. H. Jett, R. A. Keller, L. R. Pratt, and T. M. Yoshida, Analyst, 135, 1333-1338(2010): "Reduction in Diffusion Broadening in Flow Experiments by Analysis of Time-Gated Single-Molecule Data."

S. Chempath, J. M. Boncella, L. R. Pratt, N. Henson, B. S. Pivovar, J. Phys. Chem. C, 114, 11977-11983(2010): "Density Functional Theory Study of Degradation of Tetraalkylammonium Hydroxides."

M. I. Chaudhari, L. R. Pratt, and M. E. Paulaitis, J. Chem. Phys., 133 231102(2010): "Direct Observation of a Hydrophobic Bond in Loop-Closure of a Capped (-OCH2CH2-)n Oligomer in Water."

L. Yang, B. H. Fishbine, A. Migliori, and L. R. Pratt, J. Am. Chem. Soc. 131, 12373-12376 (2009): "Molecular Simulation of Electric Double-Layer Capacitors Based on Carbon Nanotube Forests."

P. Zhu, T. Harris, M. Driver, C. Campbell, L. R. Pratt, K. Papadopoulos, J. Phys. Chem. C, 113, 16458-16463 (2009): "Dissolution Kinetics of [Hmim][BF4] Ionic Liquid Droplets in 1-Pentanol."

S. Chempath and L. R. Pratt, “Distribution of binding energies of a water molecule in the water liquid-vapor interface, ''Journal of Physical Chemistry B, 2008 (in press).

S. Chempath, L. R. Pratt, and M. E. Paulaitis, “Quasi-chemical theory with a soft cutoff.'' Journal of Chemical Physics, 2008 (submitted, http://arxiv.org/abs/0811.0583).

D. Asthagiri, S. Merchant, L. R. Pratt, “Role of attractive methane-water interactions in the potential of mean force between methane molecules in water.'' Journal of Chemical Physics, 2008, 128, 244512.

S. Chempath, B. R. Einsla, L. R. Pratt, C. S. Boncella, J. M. Macomber, J. A. Rau, and B. S. Pivovar, “Mechanism of tetraalkylammonium headgroup degradation in alkaline fuel cell membranes.'' Journal of Physical Chemistry C, 2008, 112, 3179.

J. K. Shah, D. Asthagiri, L. R. Pratt, and M. E. Paulaitis, “Balancing local order and long-ranged interactions in the molecular theory of liquid water.'' Journal of Chemical Physics, 2007, 127, 144508.

D. Asthagiri, H. S. Ashbaugh, A. Piryatinski, M. E. Paulaitis, and L. R. Pratt, “Non-van der Waals treatment of the hydrophobic solubility of CF4.'' Journal of the American Chemical Society, 2007, 129, 10133.

T. M. McCleskey, D. S. Ehler, T. S. Keizer, D. N. Asthagiri, L. R. Pratt, R. Michalczyk, and B. L. Scott, “Beryllium displacement of H+ from strong hydrogen bonds.'' Angewandte Chemie - Int. Ed., 2007, 46, 2669.

H. S. Ashbaugh and L. R. Pratt, “Contrasting non-aqueous against aqueous solvation on the basis of scaled-particle theory,” 2007, Journal of Physical Chemistry B, 2007, 111, 9330.

M. A. Gomez, L. R. Pratt, Joel D. Kress, and D. Asthagiri, “Water adsorption and dissociation on BeO (001) and (100) surfaces.” Surface Science, 2007, 601, 1608.

L. R. Pratt and D. Asthagiri, “Potential distribution methods and free energy models of molecular solutions,” in FREE ENERGY CALCULATIONS. THEORY AND APPLICATIONS IN CHEMISTRY AND BIOLOGY, Springer Series in Chemical Physics, Vol. 86 (2007), Chipot, C.; Pohorille, Andrew (Eds.).

H. S. Ashbaugh and L. R. Pratt, “Scaled-particle theory and the length scales of hydrophobicity,'' Reviews of Modern Physics, 2008, 78, 159.

A. Paliwal, D. Asthagiri, L. R. Pratt, H. S. Ashbaugh, M. E. Paulaitis, “An analysis of molecular packing and chemical association in liquid water using quasi-chemical theory,“ Journal of Chemical Physics, 2006, 124, 224502.

D. Asthagiri, L. R. Pratt, and M. E. Paulaitis, “Role of fluctuations in a snug-fit mechanism of KcsA channel selectivity,'' Journal of Chemical Physics, 2006, 125, 124701.

T. L. Beck, M. E. Paulaitis, and L. R. Pratt, THE POTENTIAL DISTRIBUTION THEOREM AND MODELS OF MOLECULAR SOLUTIONS, Cambridge University Press, 2006.

H. S. Ashbaugh, L. R. Pratt, M. E. Paulaitis, J. Clohecy, and T. L. Beck, “Deblurred observation of the molecular structure of a water-oil interface,'' Journal of the American Chemical Society, 2005, 127, 2808.

D. Asthagiri, L. R. Pratt, and J. D. Kress, “Ab Initio Molecular Dynamics and Quasi-chemical Study of H+(aq),'' Proceedings of the National Academy of Sciences USA, 2005, 102, 6704.

S. B. Rempe D. Asthagiri, L. R. Pratt, “Inner Shell Definition and Absolute Hydration Free Energy of K+(aq) on the Basis of Quasi-chemical Theory and Ab Initio Molecular Dynamics." PCCP, 2004, 6, 1966.

D. Asthagiri, L. R. Pratt, J. D. Kress, M. A. Gomez, “Hydration and Mobility of HO-(aq).'' Proceedings of the National Academy of Sciences USA, 2004, 101, 7229.

M. Eikerling, S. J. Paddison, L. R. Pratt, and T. A. Zawodzinski, Jr., “Defect Structure for Proton Transport in Triflic Acid Monohydrate Solid.'' Chemical Physics Letters, 2003, 368, 108.

D. Asthagiri and L. R. Pratt, “Quasi-Chemical Studies of Be2+ Speciation in Water,'' Chemical Physics Letters, 2003, 371, 613.

H. S. Ashbaugh, D. Asthagiri, L. R. Pratt, and S. B. Rempe, “Hydration of Krypton and Consideration of Clathrate Models of Hydrophobic Effects from the Perspective of Quasi-Chemical Theory,'' Biophysical Chemistry, 2003, 105, 321.

L. R. Pratt, “Modeling and Molecular Theory of Liquids.'' in THEORY IN ACTION: HIGHLIGHTS IN THE THEORETICAL DIVISION AT LOS ALAMOS 1943-2003, LA-14000-H (history report unclassified).

D. Asthagiri, L. R. Pratt, H. S. Ashbaugh, “Absolute Hydration Free Energies of Ions, Ion-Water Clusters, and Quasi-chemical Theory,'' Journal of Chemical Physics, 2003, 119, 2702.

L. R. Pratt and H. S. Ashbaugh, “Self Consistent Molecular Field Theory for Packing in Classical Liquids,'' Physical Review E, 2003, 68, 021505.

D. Asthagiri, L. R. Pratt, J. D. Kress, and M. A. Gomez, “The hydration state of HO-(aq),'' Chemical Physics Letters, 2003, 380, 530.

D. Asthagiri, L. R. Pratt, J. D. Kress, “Free Energy of Liquid Water on the Basis of Quasi-Chemical Theory and Ab Initio Molecular Dynamics,'' Physical Review E, 2003, 68}, 041505.

R. A. LaViolette, K. L. Copeland, and L. R. Pratt, “Cages of Water Coordinating Kr in Aqueous Solution,'' Journal of Physical Chemistry A, 2003, 107}, 11267.

D. Asthagiri, L. R. Pratt, M. E. Paulaitis, and S. B. Rempe, “Hydration Structure and Free Energy of Biomolecularly Specific Aqueous Dications, including Zn2+ and First-Transition-Row Metals,'' Journal of the American Chemical Society, 2003, 126, 1285.

L. R. Pratt, “Molecular Theory of Hydrophobic Effects: `She is too mean to have her name repeated,' '' Annual Review of Physical Chemistry, 2002, 53, 409.

L. R. Pratt and A. Pohorille, “Hydrophobic Effects and Modeling of Biophysical Aqueous Solution Interfaces,'' Chemical Reviews, 2002, 102, 2671.

P. Grabowski, D. Riccardi, M. A. Gomez, D. Asthagiri, and L. R. Pratt, “Quasi-chemical Theory and the Standard Free Energy of H+ (aq),'' Journal of Physical Chemistry A, 2002, 106, 9145.

M. E. Paulaitis and L. R. Pratt, “Hydration Theory for Molecular Biophysics.” Advances in Protein Chemistry, 2002, 62, 283.

S. B. Rempe and L. R. Pratt, “The Hydration Number of Na+ in Liquid Water,'' Fluid Phase Equilibria, 2001, 121, 183.

S. J. Paddison, L. R. Pratt, and T. A. Zawodzinski, Jr., “Variation of the Dissociation Constant of Triflic Acid with Hydration,'' Journal of Physical Chemistry A, 2001, 105, 6266.

L. R. Pratt, R. A. LaViolette, M. A. Gomez, and M. E. Gentile, “Quasi-Chemical Theory for the Statistical Thermodynamics of the Hard Sphere Fluid,'' Journal of Physical Chemistry B, 2001, 105, 11662.

Susan B. Rempe, L. R. Pratt, Gerhard Hummer, Joel D. Kress, Richard L. Martin, and Antonio Redondo, “The Hydration Number of Li+ in Liquid Water,'' Journal of the American Chemical Society, 2000, 122, 966.

G. Hummer, S. Garde, A. E. García, L. R. Pratt, “New Perspectives on Hydrophobic Effects,'' Chemical Physics, 2000, 258, 349.

M. A. Gomez, L. R. Pratt, G. Hummer, and S. Garde, “Molecular Realism in Default Models for Information Theories of Hydrophobic Effects,'' Journal of Physical Chemistry B, 1999, 103, 3520.

L. R. Pratt, S. Garde, and G. Hummer, “Theories of Hydrophobic Effects and the Description of Free Volume in Complex Liquids.” in NEW APPROACHES TO PROBLEMS IN LIQUID STATE THEORY, 1999, NATO Science Series 529, Kluwer, 407.