NKABS

DATABASE and NKABS code

We present here a Database about the spectroscopy of Astrophysical ices in the infrared including refractive index from the LASA laboratory and associated laboratories (LNLS, GANIL, PUC-RIO). This Database is presented in two groups: 1- Unirradiated ices and 2- processed ices by coscmic-ray analogs. Future databases will also cover X-ray and electron bombardment data.

Additonaly, we also present a code for the determination of optical constants (complex refractive index) of thin films directly from the absorbance data in the infrared, called NKABS. The code is written in the Python language, being more accurated and faster than previous methods in the literature. For solving the Kramers-Kronig relationship, we used the Maclaurin's methodoly. Unlike other codes, which found convergence in 30 to 40 iterations, the NKABS reach the convergence in just 4 or 5 iterations. Additionally, to evaluate the error, this code calculates the MAPE (Mean Absolute Percentage Error) and the chi-square χ². The typical MAPE error obtained using NKABS is less than 1 x 10^-3%. The code is available on-line as well as the data base obtained here. The NKABS can be also employed for the calculation refractive index of processed samples (by heating or radiation). Such data, as well as the the refractive index of virgin samples, are needed as input in several astrophysical models that calculates the radiative transfer in dusty astrophysical environments such as protoplanetary disks and circunstellar environments as well dense molecular clouds.The first version of the code was developed during the PhD thesis of Will Robson in 2013.

The original paper can be obtained here:

Windows version. Download (zip file ~ 25Mb).

DATABASE 1: UNIRRADIATED FTIR spectra (absorbance) and optical constants (m=n+ik) of astrophysical ices and thin films.

Data Label	Temp (K)	Sample (IR Absorbance and optical constants)	Reference/notes
G1	10	CO	Rocha & Pilling (2014), Ehrenfreund et al. 1999
G2	13	CO2	Rocha & Pilling (2014), Pilling et al. 2010b
G3	14	NH3	Rocha & Pilling (2014), Pilling et al. 2012
G4	12	SO2	Rocha & Pilling (2014)
S1	300	alpha-glycine	Rocha & Pilling (2014), Pilling et al. 2011
S2	14	alpha-gycine	Rocha & Pilling (2014), Portugal et al. 2013
S3	300	beta-glycine	Rocha & Pilling (2014), Pilling et al. 2013
S4	300	DL-proline	Rocha & Pilling (2014), Pilling et al. 2011
S5	300	DL-valine	Rocha & Pilling (2014), Pilling et al. 2011
S6	300	adenine	Rocha & Pilling (2014), Pilling et al. 2011
S7	300	uracil	Rocha & Pilling (2014), Pilling et al. 2011
L1	12	H2O (amorphous)	Rocha & Pilling (2014)
L2	165	H2O (crystalline)	Rocha & Pilling (2014)
L3	12	acetone	Rocha & Pilling (2014)
L4	12	acetonirtile	Rocha & Pilling (2014)
L5	12	acetic acid	Rocha & Pilling (2014)
L6	12	formic acid	Rocha & Pilling (2014)
L7	12	ethanol	Rocha & Pilling (2014)
L8	12	methanol	Rocha & Pilling (2014)
L9	13	cycle-hexane	Rocha & Pilling (2014), Pilling et al. 2012
M1	12	Titan aerosol - N2CH4 (19:1)	Rocha & Pilling (2014)
M2	13	H2O:CO2 (9:1)	Rocha & Pilling (2014), Pilling et al. 2010b
M3	13	H2O:CO2 (1:1)	Rocha & Pilling (2014), Pilling et al. 2010b
M4	13	H2O:HCOOH (1:1)	Rocha & Pilling (2014), Bergantini et al 2013
M5	13	H2O:NH3:CO (1:0.5:0.4)	Rocha & Pilling (2014), Pilling et al. 2010a
M6	14	H2O:NH3:c-C6H12 (1:0.3:0.7)	Rocha & Pilling (2014), Pilling et al. 2012
M7	80	Enceladus - H2O:CO2:NH3:CH4 (9:1:1:1)	Rocha & Pilling (2014)
M8	90	Europa -H2O:CO2:NH3:SO2 (10:1:1:1)	Rocha & Pilling (2014)

OBS: G# films from condensed gaseous samples, S# films from solid samples,L# films frozen thin films from evaporated liquid samples in vaccum, M# films from mixed samples.

DATABASE 2 : FTIR spectra (absorbance) and optical constants (m=n+ik) of bombarded astrophysical ices and thin films by heavy ions. NEW!!!!

OBS1: A free version of the paper can be download at: https://arxiv.org/abs/1609.04684

OBS2: MNRAS DOI: 10.1093/mnras/stw2398

Data Label	Temp (K)	Sample (IR absorbance and optical constants)	Projectile	Flucence (x10¹⁰ ions cm^-2)	References / Notes
D1a	13	H₂O:CO₂ (1:1)	52 MeV ⁵⁸Ni¹³⁺	0	Rocha et al. (2016); Pilling et al. (2010b)
D1b	13	H₂O:CO₂ (1:1)	52 MeV ⁵⁸Ni¹³⁺	100	Rocha et al. (2016); Pilling et al. (2010b)
D1c	13	H₂O:CO₂ (1:1)	52 MeV ⁵⁸Ni¹³⁺	1000	Rocha et al. (2016); Pilling et al. (2010b)
D2a	13	H₂O:CO₂ (10:1)	52 MeV ⁵⁸Ni¹³⁺	0	Rocha et al. (2016); Pilling et al. (2010b)
D2b	13	H₂O:CO₂ (10:1)	52 MeV ⁵⁸Ni¹³⁺	100	Rocha et al. (2015); Pilling et al. (2010b)
D2c	13	H₂O:CO₂ (10:1)	52 MeV ⁵⁸Ni¹³⁺	500	Rocha et al. (2016); Pilling et al. (2010b)
D3a	16	H₂O:CH₄ (1:0.6)	40 MeV ⁵⁸Ni¹¹⁺	0	Rocha et al. (2016); de Barros et al. (in prep)
D3b	16	H₂O:CH₄ (1:0.6)	40 MeV ⁵⁸Ni¹¹⁺	100	Rocha et al. (2016); de Barros et al. (in prep)
D3c	16	H₂O:CH₄ (1:0.6)	40 MeV ⁵⁸Ni¹¹⁺	1000	Rocha et al. (2016); de Barros et al. (in prep)
D4a	16	H₂O:CH₄ (10:0.6)	40 MeV ⁵⁸Ni¹¹⁺	0	Rocha et al. (2016); de Barros et al. (in prep)
D4b	16	H₂O:CH₄ (10:0.6)	40 MeV ⁵⁸Ni¹¹⁺	100	Rocha et al. (2016); de Barros et al. (in prep)
D4c	16	H₂O:CH₄ (10:0.6)	40 MeV ⁵⁸Ni¹¹⁺	1000	Rocha et al. (2016); de Barros et al. (in prep)
D5a	13	H₂O:NH₃ (1:0.5)	46 MeV ⁵⁸Ni¹³⁺	0	Rocha et al. (2016); Pilling et al. (2010a)
D5b	13	H₂O:NH₃ (1:0.5)	46 MeV ⁵⁸Ni¹³⁺	100	Rocha et al. (2016); Pilling et al. (2010a)
D5c	13	H₂O:NH₃ (1:0.5)	46 MeV ⁵⁸Ni¹³⁺	1600	Rocha et al. (2016); Pilling et al. (2010a)
D6a	15	H₂O:HCOOH (1:1)	46 MeV ⁵⁸Ni¹¹⁺	0	Rocha et al. (2016); Bergantini et al. (2014)
D6b	15	H₂O:HCOOH (1:1)	46 MeV ⁵⁸Ni¹¹⁺	100	Rocha et al. (2016); Bergantini et al. (2014)
D6c	15	H₂O:HCOOH (1:1)	46 MeV ⁵⁸Ni¹¹⁺	1000	Rocha et al. (2016); Bergantini et al. (2014)
D7a	15	H₂O:CH₃OH (1:1)	40 MeV ⁵⁸Ni¹¹⁺	0	Rocha et al. (2016); de Barros et al. (2014b)
D7b	15	H₂O:CH₃OH (1:1)	40 MeV ⁵⁸Ni¹¹⁺	100	Rocha et al. (2016); de Barros et al. (2014b)
D7c	15	H₂O:CH₃OH (1:1)	40 MeV ⁵⁸Ni¹¹⁺	1000	Rocha et al. (2016); de Barros et al. (2014b)
D8a	13	H₂O:NH₃:CO (1:0.6:0.4)	46 MeV ⁵⁸Ni¹³⁺	0	Rocha et al. (2016); Pilling et al. (2010a)
D8b	13	H₂O:NH₃:CO (1:0.6:0.4)	46 MeV ⁵⁸Ni¹³⁺	100	Rocha et al. (2016); Pilling et al. (2010a)
D8c	13	H₂O:NH₃:CO (1:0.6:0.4)	46 MeV ⁵⁸Ni¹³⁺	2000	Rocha et al. (2016); Pilling et al. (2010a)
D9a	13	H₂O:NH₃:c-C₆H₆ (1:0.3:0.7)	632 MeV ⁵⁸Ni²⁴⁺	0	Rocha et al. (2016); Pilling et al. (2012)
D9b	13	H₂O:NH₃:c-C₆H₆ (1:0.3:0.7)	632 MeV ⁵⁸Ni²⁴⁺	200	Rocha et al. (2016); Pilling et al. (2012)
D9c	13	H₂O:NH₃:c-C₆H₆ (1:0.3:0.7)	632 MeV ⁵⁸Ni²⁴⁺	3000	Rocha et al. (2016); Pilling et al. (2012)
D10a	72	H₂O:CO₂:CH₄ (10:1:1)	15.7 MeV ¹⁶O⁵⁺	0	Rocha et al. (2016); Pilling et al. (in prep.)
D10b	72	H₂O:CO₂:CH₄ (10:1:1)	15.7 MeV ¹⁶O⁵⁺	10	Rocha et al. (2016); Pilling et al. (in prep.)
D10c	72	H₂O:CO₂:CH₄ (10:1:1)	15.7 MeV ¹⁶O⁵⁺	100	Rocha et al. (2016); Pilling et al. (in prep.)
D11a	15	H₂O:H₂CO:CH₃OH (100:0.2:0.8)	220 MeV ¹⁶O⁷⁺	0	Rocha et al. (2016); de Barros et al. (2014a)
D11b	15	H₂O:H₂CO:CH₃OH (100:0.2:0.8)	220 MeV ¹⁶O⁷⁺	1700	Rocha et al. (2016); de Barros et al. (2014a)
D11c	15	H₂O:H₂CO:CH₃OH (100:0.2:0.8)	220 MeV ¹⁶O⁷⁺	9600	Rocha et al. (2016); de Barros et al. (2014a)
D12a	35	H₂O:NH₃:CO₂:CH₄ (10:1:1:1)	15.7 MeV ¹⁶O⁵⁺	0	Rocha et al. (2016); Pilling et al. (in prep.)
D12b	35	H₂O:NH₃:CO₂:CH₄ (10:1:1:1)	15.7 MeV ¹⁶O⁵⁺	10	Rocha et al. (2016); Pilling et al. (in prep.)
D12c	35	H₂O:NH₃:CO₂:CH₄ (10:1:1:1)	15.7 MeV ¹⁶O⁵⁺	100	Rocha et al. (2016); Pilling et al. (in prep.)
D13a	72	H₂O:NH₃:CO₂:CH₄ (10:1:1:1)	15.7 MeV ¹⁶O⁵⁺	0	Rocha et al. (2016); Pilling et al. (in prep.)
D13b	72	H₂O:NH₃:CO₂:CH₄ (10:1:1:1)	15.7 MeV ¹⁶O⁵⁺	10	Rocha et al. (2016); Pilling et al. (in prep.)
D13c	72	H₂O:NH₃:CO₂:CH₄ (10:1:1:1)	15.7 MeV ¹⁶O⁵⁺	100	Rocha et al. (2016); Pilling et al. (in prep.)

Grupo de Pesquisa em Astroquímica e Astrobiologia - GAA

Last update 30/09/2016