Saivenkataraman Jayaraman, Ph.D.
Affiliations: | 2010 | University of Notre Dame, Notre Dame, IN, United States |
Area:
Chemical Engineering, Physical Chemistry, Molecular PhysicsGoogle:
"Saivenkataraman Jayaraman"Parents
Sign in to add mentor| Edward J. Maginn | grad student | 2010 | Notre Dame | |
| (Computing thermodynamic and transport properties of room temperature ionic liquids and molten salts from atomistic simulations.) | ||||
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Publications
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| Whittaker ML, Sun W, DeRocher KA, et al. (2017) Structural Basis for Metastability in Amorphous Calcium Barium Carbonate (ACBC) Advanced Functional Materials. 28: 1704202 |
| Sun W, Jayaraman S, Chen W, et al. (2015) Nucleation of metastable aragonite CaCO3 in seawater. Proceedings of the National Academy of Sciences of the United States of America. 112: 3199-204 |
| Manga VR, Bringuier S, Paul J, et al. (2014) Molecular dynamics simulations and thermodynamic modeling of NaCl-KCl-ZnCl2 ternary system Calphad: Computer Coupling of Phase Diagrams and Thermochemistry. 46: 176-183 |
| Verevkin SP, Zaitsau DH, Emel'yanenko VN, et al. (2012) An elegant access to formation and vaporization enthalpies of ionic liquids by indirect DSC experiment and "in silico" calculations. Chemical Communications (Cambridge, England). 48: 6915-7 |
| Verevkin SP, Zaitsau DH, Emel'Yanenko VN, et al. (2012) Benchmark values: Thermochemistry of the ionic liquid [C4Py][Cl] Australian Journal of Chemistry. 65: 1487-1490 |
| Paluch AS, Jayaraman S, Shah JK, et al. (2012) Erratum: “A method for computing the solubility limit of solids: Application to sodium chloride in water and alcohols” [J. Chem. Phys. 133, 124504 (2010)] The Journal of Chemical Physics. 137: 039901 |
| Jayaraman S, Thompson AP, von Lilienfeld OA. (2011) Molten salt eutectics from atomistic simulations. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 84: 030201 |
| Paluch AS, Jayaraman S, Shah JK, et al. (2010) A method for computing the solubility limit of solids: application to sodium chloride in water and alcohols. The Journal of Chemical Physics. 133: 124504 |
| Jayaraman S, Thompson AP, Von Lilienfeld OA, et al. (2010) Molecular simulation of the thermal and transport properties of three alkali nitrate salts Industrial and Engineering Chemistry Research. 49: 559-571 |
| Jayaraman S, Maginn EJ. (2007) Computing the melting point and thermodynamic stability of the orthorhombic and monoclinic crystalline polymorphs of the ionic liquid 1-n-butyl-3-methylimidazolium chloride. The Journal of Chemical Physics. 127: 214504 |