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Title: OPTICAL CONSTANTS AND BAND STRENGTHS OF CH{sub 4}:C{sub 2}H{sub 6} ICES IN THE NEAR- AND MID-INFRARED

Abstract

We present a spectroscopic study of methane–ethane ice mixtures. We have grown CH{sub 4}:C{sub 2}H{sub 6} mixtures with ratios 3:1, 1:1, and 1:3 at 18 and 30 K, plus pure methane and ethane ices, and have studied them in the near-infrared (NIR) and mid-infrared (MIR) ranges. We have determined densities of all species mentioned above. For amorphous ethane grown at 18 and 30 K we have obtained a density of 0.41 and 0.54 g cm{sup −3}, respectively, lower than a previous measurement of the density of the crystalline species, 0.719 g cm{sup −3}. As far as we know this is the first determination of the density of amorphous ethane ice. We have measured band shifts of the main NIR methane and ethane features in the mixtures with respect to the corresponding values in the pure ices. We have estimated band strengths of these bands in the NIR and MIR ranges. In general, intensity decay in methane modes was detected in the mixtures, whereas for ethane no clear tendency was observed. Optical constants of the mixtures at 30 and 18 K have also been evaluated. These values can be used to trace the presence of these species in the surface ofmore » trans-Neptunian objects. Furthermore, we have carried out a theoretical calculation of these ice mixtures. Simulation cells for the amorphous solids have been constructed using a Metropolis Monte Carlo procedure. Relaxation of the cells and prediction of infrared spectra have been carried out at density functional theory level.« less

Authors:
; ; ;  [1]; ;  [2]
  1. Instituto de Estructura de la Materia, IEM-CSIC, Serrano 123, E-28006 Madrid (Spain)
  2. Escuela Politécnica Superior de Alcoy, UPV, E-03801 Alicante (Spain)
Publication Date:
OSTI Identifier:
22666078
Resource Type:
Journal Article
Journal Name:
Astrophysical Journal
Additional Journal Information:
Journal Volume: 825; Journal Issue: 2; Other Information: Country of input: International Atomic Energy Agency (IAEA); Journal ID: ISSN 0004-637X
Country of Publication:
United States
Language:
English
Subject:
79 ASTROPHYSICS, COSMOLOGY AND ASTRONOMY; DECAY; DENSITY; DENSITY FUNCTIONAL METHOD; ETHANE; FORECASTING; INFRARED SPECTRA; INTERMEDIATE INFRARED RADIATION; METHANE; MONTE CARLO METHOD; NEAR INFRARED RADIATION; PLANETS; RELAXATION; SATELLITES; SIMULATION; SOLIDS; SURFACES

Citation Formats

Molpeceres, Germán, Ortigoso, Juan, Escribano, Rafael, Maté, Belén, Satorre, Miguel Angel, and Millán, Carlos, E-mail: belen.mate@csic.es. OPTICAL CONSTANTS AND BAND STRENGTHS OF CH{sub 4}:C{sub 2}H{sub 6} ICES IN THE NEAR- AND MID-INFRARED. United States: N. p., 2016. Web. doi:10.3847/0004-637X/825/2/156.
Molpeceres, Germán, Ortigoso, Juan, Escribano, Rafael, Maté, Belén, Satorre, Miguel Angel, & Millán, Carlos, E-mail: belen.mate@csic.es. OPTICAL CONSTANTS AND BAND STRENGTHS OF CH{sub 4}:C{sub 2}H{sub 6} ICES IN THE NEAR- AND MID-INFRARED. United States. doi:10.3847/0004-637X/825/2/156.
Molpeceres, Germán, Ortigoso, Juan, Escribano, Rafael, Maté, Belén, Satorre, Miguel Angel, and Millán, Carlos, E-mail: belen.mate@csic.es. Sun . "OPTICAL CONSTANTS AND BAND STRENGTHS OF CH{sub 4}:C{sub 2}H{sub 6} ICES IN THE NEAR- AND MID-INFRARED". United States. doi:10.3847/0004-637X/825/2/156.
@article{osti_22666078,
title = {OPTICAL CONSTANTS AND BAND STRENGTHS OF CH{sub 4}:C{sub 2}H{sub 6} ICES IN THE NEAR- AND MID-INFRARED},
author = {Molpeceres, Germán and Ortigoso, Juan and Escribano, Rafael and Maté, Belén and Satorre, Miguel Angel and Millán, Carlos, E-mail: belen.mate@csic.es},
abstractNote = {We present a spectroscopic study of methane–ethane ice mixtures. We have grown CH{sub 4}:C{sub 2}H{sub 6} mixtures with ratios 3:1, 1:1, and 1:3 at 18 and 30 K, plus pure methane and ethane ices, and have studied them in the near-infrared (NIR) and mid-infrared (MIR) ranges. We have determined densities of all species mentioned above. For amorphous ethane grown at 18 and 30 K we have obtained a density of 0.41 and 0.54 g cm{sup −3}, respectively, lower than a previous measurement of the density of the crystalline species, 0.719 g cm{sup −3}. As far as we know this is the first determination of the density of amorphous ethane ice. We have measured band shifts of the main NIR methane and ethane features in the mixtures with respect to the corresponding values in the pure ices. We have estimated band strengths of these bands in the NIR and MIR ranges. In general, intensity decay in methane modes was detected in the mixtures, whereas for ethane no clear tendency was observed. Optical constants of the mixtures at 30 and 18 K have also been evaluated. These values can be used to trace the presence of these species in the surface of trans-Neptunian objects. Furthermore, we have carried out a theoretical calculation of these ice mixtures. Simulation cells for the amorphous solids have been constructed using a Metropolis Monte Carlo procedure. Relaxation of the cells and prediction of infrared spectra have been carried out at density functional theory level.},
doi = {10.3847/0004-637X/825/2/156},
journal = {Astrophysical Journal},
issn = {0004-637X},
number = 2,
volume = 825,
place = {United States},
year = {2016},
month = {7}
}