Physical Chemistry

Physical chemistry is the study of macroscopic, atomic, subatomic, and particulate phenomena in chemical systems in terms of physical laws and concepts.

Santiago Aparicio

Editor-in-Chief of Physical Chemistry

Professor, Department of Chemistry, University of Burgos, Spain

Research Areas

Thermodynamics-Complex Fluids-Molecular Modelling-Green Chemistry-Ionic Liquids-Metal Organic Frameworks-Natural Gas-CO2 Capture

Education

2001Ph.DChemistry, University of Burgos, Spain
1996M.ScChemistry, University of Burgos, Spain
1995B.ScChemistry, University of Valladolid, Spain

Experience

2009-presentProfessor, Department of Chemistry, University of Burgos, Spain
2006-2009Associate Professor, Department of Chemistry, University of Burgos, Spain
2005-2006Visiting Fulbrigh Scholar, Department of Chemical Engineering, Texas A&M University, USA
1998-2005Assistant Professor. Department of Chemistry. University of Burgos. Spain

Publications: Conferences/Workshops/Symposiums/Journals/Books

[1]  Aparicio, S., Atilhan, M., Insights into tris-(hydroxylethyl)methylammonium methylsulfate aqueous solutions (2011) Journal of Physical Chemistry, 115, In press.
[2]  Aparicio, S., Atilhan, M., Water effect on CO2 Absorption for Hydroxylammonium Based Ionic Liquids: a Molecular dynamics study (2011) Chemical Physics, In press.
[3]  Aparicio, S., Atilhan, M., Kraisheh, M., Alcalde, R., Fernandez, J. Study on Hydroxylammonium Based Ionic Liquids. Part II: Computational Analysis of CO2 Absorption (2011) Journal of Physical Chemistry B 115, In press.
[4]  Aparicio, S., Atilhan, M., Kraisheh, M., Alcalde, R. Study on Hydroxylammonium Based Ionic Liquids. Part I: Characterization (2011) Journal of Physical Chemistry B 115, In press.
[5]  Aparicio, Alcalde, R., Lafuente, C., Bandrés, I., Atildan, M. On the Viscosity of Pyridinium Based Ionic Liquids: An Experimental and Computational Study (2011) Journal of Physical Chemistry B 115, In press.
[6]  Atilhan, M., Aparicio, S., Ejaz, S., Cristancho, D., El-Halwagi, M., Hall, K. R. p-p-T Behavior of Three Lean Synthetic Natural Gas Mixtures using Magnetic Suspension Densimeter and Isochoric Apparatus from 250 K to 450 K with pressures up to 150 MPa: Part II (2011) Journal of Chemical and Engineering Data 56, In press.
[7]  Karadas, F., Zulfiqar, S., Aparicio, S., Stucky, G., Atilhan, M. CO2 Adsorption Studies on Hydroxy Metal Carbonates, M(CO3)x(OH)y (M= Zn, Zn-Mg, Mg, Mg-Cu, Cu, Ni, and Pb) at High Pressures up to 175 bar (2011) Langmuir 27, 10642-10647.
[8]  Aparicio, S., Alcalde, R., Trenzao, J. L., Caro, M. N., Atildan, M. Study of Dimethoxyethane/Ethanol Solutions (2011) Journal of Physical Chemistry B 115, 8864-8874.
[9]  Atildan, M., Aparicio, S., Beniahya, F. A Review on Natural Gas Hydrates Phenomena in Subsea Conditions and Pipelines: Prediction and Inhibition Methods, Storage, Transportation and Related Safety Concerns (2011) In: Natural Gas. ISBN 979-953-307-567-8, Intech publishers, in press.
[10]  Aparicio, S.; Alcalde, R.; Dávila, M. J. Compressed liquid density measurements for methylbenzoate + (cyclohexane or 1-hexanol) binary systems (2011) Journal of Chemical Thermodynamics 43, 1017-1022.
[11]  Atilhan, M., Aparicio, S., Ejaz, S., Cristancho, D., El-Halwagi, M., Hall, K. R. PρT Behavior of a Lean Synthetic Natural Gas Mixture using Magnetic Suspension Densimeters and Isochoric Apparatus: Part I (2011) Journal of Chemical and Engineering Data 56, 212-221.
[12]  Atilhan, M., Aparicio, S., Iglesias-Silva, G. A., El-Halwagi, M., Hall, K. R. On the PρT, PhT and Phase Envelope Characterization of Qatari Type Natural Gas Mixtures (2010) In: Advances in Gas Processing. ISBN: 978-0444535887, Elsevier.
[13]  Atildan, M., Aparicio, S., Karadas, F. Review of the Use of Ionic Liquids as Alternative Fluids for CO2 Capture and Natural Gas Sweetening (2010) Energy and Fuels 24, 5817-5828.
[14]  Aparicio, S., Atildan, M. Molecular Dynamics Simulations of Volumetric Thermophysical Properties of Natural Gases (2010) In: Natural Gas. ISBN: 978-953-307-112-1, Intech Publishing.
[15]  Aparicio, S., Atildan, M., Karadas, F. Thermophysical Properties of Pure Ionic Liquids: Review of Present Situation (2010) Industrial and Engineering Chemistry Research 49, 9580-9595.
[16]  Aparicio, S. On the structure of liquid methyl salicylate: The role of intramolecular hydrogen bonding (2010) European Journal of Chemistry 1, 162-167.
[17]  Atilhan, M., Aparicio, S., Alcalde, R., Iglesias-Silva, G. A., El-Halwagi, M., Hall, K. R. On the Viscosity of Natural Gases from Qatari North Field Reservoir (2010) Journal of Chemical and Engineering Data 55, 5117-5123
[18]  Aparicio, S., Atildan, M. Computational Study of Hexamethylguanidinium Lactate Ionic Liquid: A Candidate for Natural Gas Sweetening (2010) Energy and Fuels 24, 4989-5001.
[19]  Atilhan, M., Aparicio, S., Alcalde, R., Iglesias-Silva, G. A., El-Halwagi, M., Hall, K. R. Viscosity Measurements and Data Correlation for Two Synthetic Natural Gas Mixtures (2010) Journal of Chemical and Engineering Data 55, 2498-2504
[20]  Aparicio, S. A systematic computational study on flavonoids (2010) International Journal of Molecular Sciences 11 (5), 2017-2038.
[21]  Aparicio, S., Alcalde, R., Atilhan, M. Experimental and computational study on the properties of pure and water mixed 1-ethyl-3-methylimidazolium L-(+)-lactate ionic liquid (2010) Journal of Physical Chemistry B 114 (17), pp. 5795-5809.
[22]  Aparicio, S. Modelling and analysis of global phase diagrams in CO2 + 1-alkanols binary mixtures using PC–SAFT (2009) In: Supercritical Fluids, Belinsky, M. (Ed.), Nova Publishers.
[23]  Dav.ila, M.J., Aparicio, S., Alcalde, R. Thermophysical properties of binary and ternary mixtures containing lactams and methanol (2009) Industrial and Engineering Chemistry Research, 48 (22), pp. 10065-10076.
[24]  Aparicio, S., Alcalde, R. Insights into the ethyl lactate + water mixed solvent (2009) Journal of Physical Chemistry B, 113 (43), pp. 14257-14269.
[25]  Aparicio, S., Alcalde, R. Characterization of two lactones in liquid phase: An experimental and computational approach (2009) Physical Chemistry Chemical Physics, 11 (30), pp. 6455-6467.
[26]  Aparicio, S., Alcalde, R., García, B., Leal, J.M. High-pressure study of the methylsulfate and tosylate imidazolium ionic liquids (2009) Journal of Physical Chemistry B, 113 (16), pp. 5593-5606.
[27]  Aparicio, S., Dávila, M.J., Alcalde, R. Insights into the coal extractive solvent N-methyl-2-pyrrolidone + carbon disulfide (2009) Energy and Fuels, 23 (3), pp. 1591-1602.
[28]  Dávila, M.J., Alcalde, R., Aparicio, S. Pyrrolidone derivatives in water solution: An experimental and theoretical perspective (2009) Industrial and Engineering Chemistry Research, 48 (2), pp. 1036-1050.
[29]  Aparicio, S., Alcalde, R. The green solvent ethyl lactate: An experimental and theoretical characterization (2009) Green Chemistry, 11 (1), pp. 65-78.
[30]  Aparicio, S., Alcalde, R., Dávila, M.J., García, B., Leal, J.M. Measurements and predictive models for the N-methyl-2-pyrrolidone/water/methanol system (2008) Journal of Physical Chemistry B, 112 (36), pp. 11361-11373.
[31]  Aparicio, S. Phase equilibria in perfluoroalkane + alkane binary systems from PC-SAFT equation of state (2008) Journal of Supercritical Fluids, 46 (1), pp. 10-20.
[32]  Alcalde, R., Aparicio, S., Dávila, M.J., García, B., Leal, J.M. Liquid-liquid equilibria of lactam containing binary systems (2008) Fluid Phase Equilibria, 266 (1-2), pp. 90-100.
[33]  Aparicio, S., Alcalde, R., Dávila, M.J., García, B., Leal, J.M. On the properties of methylbenzoate/n-hexane mixed solvents: A theoretical and experimental study (2008) Journal of Physical Chemistry B, 112 (16), pp. 5047-5057.
[34]  Aparicio, S., Alcalde, R., García, B., Leal, J.M. Structure-composition relationships in ternary solvents containing methylbenzoate (2008) Journal of Physical Chemistry B, 112 (11), pp. 3420-3431.
[35]  Aparicio, S., Halajian, S., Alcalde, R., García, B., Leal, J.M. Liquid structure of ethyl lactate, pure and water mixed, as seen by dielectric spectroscopy, solvatochromic and thermophysical studies (2008) Chemical Physics Letters, 454 (1-3), pp. 49-55.
[36]  Hall, K.R., Aparicio-Martinez, S., Atilhan, M., Ejaz, D.C. Densities and phase loops for four natural gas-like mixtures (2007) 2007 AIChE Spring National Meeting, 1 p.
[37]  Aparicio-Martnez, S., Balbuena, P.B. On the properties of aqueous amide solutions through classical molecular dynamics simulations (2007) Molecular Simulation, 33 (11), pp. 931-944.
[38]  Aparicio, S., Alcalde, R., García, B., Leal, J.M. Microwave dielectric spectroscopy of 2-pyrrolidone + water mixtures (2007) Chemical Physics Letters, 444 (4-6), pp. 252-257.
[39]  Aparicio-Martínez, S., Hall, K.R. Phase equilibria in water containing binary systems from molecular based equations of state (2007) Fluid Phase Equilibria, 254 (1-2), pp. 112-125.
[40]  Aparicio, S. Computational study on the properties and structure of methyl lactate (2007) Journal of Physical Chemistry A, 111 (21), pp. 4671-4683.
[41]  Aparicio, S., Alcalde, R., Dávila, M.J., García, B., Leal, J.M. Properties and structure of aromatic ester solvents (2007) Journal of Physical Chemistry B, 111 (17), pp. 4417-4431. http://www.scopus.com/inward/record.url?eid=2-s2.0-34248998066&partnerID=40&md5=762a315556986cc53a7700eb2d9b9 60e
[42]  Aparicio, S., Alcalde, R., Dávila, M.J., García, B., Leal, J.M. Properties of 1, 8-cineole: A thermophysical and theoretical study (2007) Journal of Physical Chemistry B, 111 (12), pp. 3167-3177.
[43]  Dávila, M.J., Aparicio, S., Alcalde, R., García, B., Leal, J.M. On the properties of 1-butyl-3-methylimidazolium octylsulfate ionic liquid (2007) Green Chemistry, 9 (3), pp. 221-232.
[44]  Aparicio-Martínez, S., Hall, K.R. Use of PC-SAFT for global phase diagrams in binary mixtures relevant to natural gases. 3. Alkane + non-hydrocarbons (2007) Industrial and Engineering Chemistry Research, 46 (1), pp. 291-296.
[45]  Aparicio-Martínez, S., Hall, K.R. Use of PC-SAFT for global phase diagrams in binary mixtures relevant to natural gases. 1. n-Alkane + n-Alkane (2007) Industrial and Engineering Chemistry Research, 46 (1), pp. 273-284.
[46]  Gualdrón, D.A.G., Aparicio-Martínez, S., Balbuena, P.B. Computational Studies of Structure and Dynamics of Clathrate Inhibitor Monomers in Solution (2007) Industrial and Engineering Chemistry Research, 46 (1), pp. 131-142.
[47]  Aparicio-Martínez, S., Hall, K.R. Use of PC-SAFT for global phase diagrams in binary mixtures relevant to natural gases. 2. n-alkane + other hydrocarbons (2007) Industrial and Engineering Chemistry Research, 46 (1), pp. 285-290.
[48]  Aparicio-Martínez, S., Hall, K.R., Balbuena, P.B. Theoretical study on the properties of linear and cyclic amides in gas phase and water solution (2006) Journal of Physical Chemistry A, 110 (29), pp. 9183-9193.
[49]  Martinez, S.A., Hall, K.R. Thermodynamic properties of light synthetic natural gas mixtures using the RK-PR cubic equation of state (2006) Industrial and Engineering Chemistry Research, 45 (10), pp. 3684-3692.
[50]  Aparicio, S., García, B., Alcalde, R., Dávila, M.J., Leal, J.M. PVTx measurements of the N-methylpyrrolidone/methanol mixed solvent: Cubic and SAFT EOS analyses (2006) Journal of Physical Chemistry B, 110 (13), pp. 6933-6942.
[51]  Alcalde, R., Aparicio, S., García, B., Leal, J.M. Structures of alkyl benzoate binary mixtures. A Kirkwood-Buff fluctuation theory study using UNIFAC (2005) Journal of Physical Chemistry B, 109 (42), pp. 19908-19914.
[52]  Aparicio, S., Alcalde, R., Garcia, B., Leal, J.M. Thermophysical behavior of n-alkane + alkylbenzoate mixed solvents. Measurements and properties modeling (2005) Industrial and Engineering Chemistry Research, 44 (19), pp. 7575-7583.
[53]  Alcalde, R., Aparicio, S., García, B., Dávila, M.J., Leal, J.M. Solute-solvent interactions in lactams-water ternary solvents (2005) New Journal of Chemistry, 29 (6), pp. 817-825.
[54]  Aparicio, S., Alcalde, R., Leal, J.M., García, B. Characterization and preferential solvation of the hexane/hexan-1-ol/methylbenzoate ternary solvent (2005) Journal of Physical Chemistry B, 109 (13), pp. 6375-6385.
[55]  García, B., Alcalde, R., Aparicio, S., Dávila, M.J., Leal, J.M., Matos, J.S., Sastry, N.V. Comments on "densities, viscosities, speeds of sound, and relative permittivities for water + cyclic amides (2-Pyrrolidinone, 1-methyl-2-pyrrolidinone, and 1-vinyl-pyrrolidinone) at different Temperatures" (George J.; Sastry N. V. J. Chem. Eng. Data 2004, 49, 235-242) (2005) Journal of Chemical and Engineering Data, 50 (1), pp. 293-295.
[56]  García, B., Aparicio, S., Navarro, A.M., Alcalde, R., Leal, J.M. Measurements and modeling of thermophysical behavior of (C1-C4) alkylbenzoate/(C1-C11) alkan-1-ol mixed solvents (2004) Journal of Physical Chemistry B, 108 (40), pp. 15841-15850.
[57]  García, B., Aparicio, S., Alcalde, R., Dávila, M.J., Leal, J.M. Modeling the PVTx behavior of the N-methylpyrrolidinone/water mixed solvent (2004) Industrial and Engineering Chemistry Research, 43 (12), pp. 3205-3215.
[58]  García, B., Aparicio, S., Alcalde, R., Ruiz, R., Dávila, M.J., Leal, J.M. Characterization of Lactam-containing binary solvents by solvatochromic indicators (2004) Journal of Physical Chemistry B, 108 (9), pp. 3024-3029.
[59]  García, B., Aparicio, S., Alcalde, R., Leal, J.M. Preferential solvation in ternary solutions containing methylbenzoate. A Kirkwood-Buff fluctuation theory study (2003) Journal of Physical Chemistry B, 107 (48), pp. 13478-13486.
[60]  García, B., Alcalde, R., Aparicio, S., Leal, J.M., Trenzado, J.L. Thermophysical behavior and temperature effect on the N-methylpyrrolidone + (C1-C10) alkan-1-ols mixed solvents (2003) Industrial and Engineering Chemistry Research, 42 (4), pp. 920-928.
[61]  García, B., Alcalde, R., Aparicio, S., Leal, J.M. Volumetric properties, viscosities and refractive indices of binary mixed solvents containing methyl benzoate (2002) Physical Chemistry Chemical Physics, 4 (23), pp. 5833-5840.
[62]  García, B., Alcalde, R., Aparicio, S., Leal, J.M. Thermophysical behavior of methylbenzoate + n-alkanes mixed solvents. Application of cubic equations of state and viscosity models (2002) Industrial and Engineering Chemistry Research, 41 (17), pp. 4399-4408.
[63]  García, B., Alcalde, R., Aparicio, S., Leal, J.M. The N-methylpyrrolidone-(C1-C10) alkan-1-ols solvent systems (2002) Physical Chemistry Chemical Physics, 4 (7), pp. 1170-1177.
[64]  García, B., Alcalde, R., Aparicio, S., Leal, J.M., Matos, J.S. Solute solvent interactions in the (n, n-dimethylformamide + n-methylformamide + water) ternary system at 298.15 K (2001) Physical Chemistry Chemical Physics, 3 (14), pp. 2866-2871.