Research Topics

One of the fundamental questions of the life’s origin is the development of long molecular chains. The answer may lie in the fault zones in the Earth's crust. Here we can find all the basic elements of life. Prebiotic molecules could be formed here. Within the research project "Origin of life" we investigate the formation mechanisms of the first complex organic molecules in laboratory scale. The experimental conditions correspond to the conditions of the early continental crust: the physico-chemical properties of mineral surfaces and organic compounds vary with the temperature, pressure, pH or fluid composition. Experiments are therefore carried out in a number of plausible prebiotic conditions in a closed system under supercritical carbon dioxide and water with a potential catalyst in order to examine the optimal reaction conditions, the stability and the aggregation structure of the molecules.

Publications

Davila, M.J.; Gedanitz, H.; Span, R. (2016):  Speed of sound in saturated aliphatic alcohols (propan-2-ol, butan-2-ol, and 2-methylpropan-1-ol) and alkanediols (ethane-1,2-diol, propane-1,2-and-1,3-diol) at temperature between 253.15 K and 353.15 K and pressures up to 30 MPa , J. Chem. Thermodynamics 101: 199 – 206.

Davila, M.J.; Gedanitz, H.; Span, R (2016).: Speed of sound measurements of liquid C1-C4 alkanols, J. Chem. Thermodynamics 93: 157– 163.

Gedanitz, H.; Davila, M. J.; Lemmon, E.W (2015).: Speed of Sound Measurements and a Fundamental Equation of State for Cyclopentane, J. Chem. Eng. Data 60: 1331 – 1337.

Mayer, C., Schreiber, U., Davila, M.J.: Periodic vesicle formation in tectonic fault zones – an ideal environment for molecular evolution, Orig. Life Evol. Biosph. June 2015, Volume 45, Issue 1-2, pp 139-148.

Dávila, M.J.; Alcalde, R; Atilhan, M.;  Aparicio, S. (2012):  PρT measurements and derived properties of liquid 1-alkanols.  J. Chem. Thermodynamics 47: 241 – 259.

Dávila, M.J.; Alcalde, R.;  Aparicio, S. (2011): Compressed liquid density measurements for {methylbenzoate + (cyclohexane or 1-hexanol)} binary systems  J. Chem. Thermodynamics 43: 1017 – 1022.

Gedanitz, H.; Dávila,  M.J.; Baumhögger, E.;  Span, R. (2010):  An apparatus for the determination of speeds of sound in fluids. J. Chem. Thermodynamics 42: 478 – 483.

Dávila, M.J.; Trusler, J.P.M. (2009): Thermodynamic properties of mixtures of N-methyl-2-pyrrolidinone and methanol at temperatures between 298.15 K and 343.15 K and pressures up to 60 MPa. J. Chem. Thermodynamics 41: 35 – 45.

Dávila, M.J.; Aparicio, S.; Alcalde, R. (2009): Thermophysical properties of binary and ternary mixtures containing lactams and methanol. Ind. Eng. Chem. Res. 48: 10065 – 10076.

Dávila, M.J.; Alcalde, R.;  Aparicio, S. (2009): Pyrrolidone Derivatives in Water Solution: An Experimental and Theoretical Perspective. Ind. Eng. Chem. Res. 48: 1036 – 1050.

Aparicio, S.; Dávila, M.J.; Alcalde, R. (2009): Insights into the Coal Extractive Solvent N-Methyl-2-pyrrolidone + Carbon Disulfide. Energy & Fuels 23: 1591 – 1602.

Aparicio, S.; Alcalde, R.; Dávila, M.J.; García, B.; Leal, J.M. (2008): Measurements and Predictive Models for the N-Methyl-2-pyrrolidone/Water/Methanol System. J. Phys. Chem. B 112: 11361 – 11373.

Aparicio, S.; Alcalde, R.; Dávila, M.J.; García, B.; Leal, J.M. (2008): Liquid–liquid equilibria of lactam containing binary systems. Fluid Phase Equilibria 266: 90–100.

Aparicio, S.; Alcalde, R.; Dávila, M.J.; García, B.; Leal, J.M. (2008): On the Properties of Methylbenzoate/n-Hexane Mixed Solvents: A Theoretical and Experimental Study. J. Phys. Chem. B 112: 5047 – 5057.

Dávila, M.J.; Aparicio, S.; Alcalde, R.; García, B.; Leal, J.M. (2007): On the properties of 1-butyl-3-methylimidazolium octylsulfate ionic liquid.  Green Chem. 9: 221 – 232.

Dávila, M.J.; Cabañas, A.; Pando, C. (2007): Excess molar enthalpies for binary mixtures related to supercritical antisolvent precipitation: Carbon dioxide +N-methyl-2-pyrrolidone. J. of Supercritical Fluids 42: 172 – 179

Aparicio, S.; Alcalde, R.; Dávila, M.J.; García, B.; Leal, J.M. (2007): Properties and structure of aromatic ester solvents. J. Phys. Chem. B 111: 4417 – 4431.

Aparicio, S.; Alcalde, R.; Dávila, M.J.; García, B.; Leal, J.M. (2007): Properties of 1,8-Cineole: A thermophysical and theoretical study. J. Phys. Chem. B 111: 3167 – 3177.

Dávila, M.J. (2007): Estudio experimental y teórico de sistemas líquidos conteniendo lactamas. Ph.D. Dissertation. University of Burgos, Spain.Aparicio, S.; Alcalde, R.; García, B.; Dávila, M.J. Leal, J.M. (2006): PVTx Measurements of the N-Methylpyrrolidone/Methanol Mixed Solvent:  Cubic and SAFT EOS Analyses. J. Phys. Chem. B, 2006, 110 (13), pp 6933–6942

Aparicio, S.; Alcalde, R.; García, B.; Dávila, M.J. Leal, J.M. (2005): Solute–solvent interactions in lactams–water ternary solvents. New J. Chem., 2005, 29, 817-825

Aparicio, S.; Alcalde, R.; García, B.; Dávila, M.J. Leal, J.M. (2004): Modeling the PVTx Behavior of the N-Methylpyrrolidinone/Water Mixed Solvent. Ind. Eng. Chem. Res., 2004, 43 (12), pp 3205–3215Aparicio, S.; Alcalde, R.; García, B.; Dávila, M.J. Leal, J.M. (2004):  Characterization of Lactam-Containing Binary Solvents by Solvatochromic Indicators. J. Phys. Chem. B, 2004, 108 (9), pp 3024–3029

Conference presentations

H. Gedanitz, M.J. Dávila, R. Span. An apparatus for the determination of speeds of sound of  fluids. 17^th Symposium on Thermophysical Properties. Boulder, USA (2009)

M.J. Dávila, H. Gedanitz, R. Span. Determination of the speed of sound of ethylene glycol, propylene glycol and trimethylene glycol as a function of pressure and temperature. 18^th European Conference on Thermophysical Properties. Pau, France (2008)

H. Gedanitz, M.J. Dávila, R. Span. An apparatus for the determination of speeds of sound of fluids at pressures up to 30 MPa. 18^th European Conference on Thermophysical Properties. Pau, France (2008)

M.J. Dávila, S. Aparicio, R. Alcalde. Thermophysical properties of binary and ternary mixtures containing lactams and methanol. 16^th Symposium on Thermophysical Properties. Boulder, USA (2006)

M.J. Dávila, J.P.M. Trusler, S. Aparicio, R. Alcalde, B. García, J.M. Leal. Thermodynamic properties of NMP/methanol over a wide temperature and pressure range. 16^th Symposium on Thermophysical Properties. Boulder, USA (2006)

S. Aparicio, M.J. Dávila, R. Alcalde, B. García, J.M. Leal. PVTx behaviour of the N-methylpyrrolidone/carbon disulfide mixed solvents. 16^th Symposium on Thermophysical Properties. Boulder, USA (2006)