Table E.1: Comparison of best-fitting models with observed radial column densities for AFGL 2591.
Species Model 6 Observed Data Reference $L_{{\rm X}}$ $T{_{{\rm X}}}$ $N{_{{\rm H,in}}}$ $G_{{\rm0,in}}$ Time

[cm^-2] [cm^-2] [erg s^-1] [K] [cm^-2] [yr]

HCN 3.8E+16 1.2E+16 submm - JCMT Bm01 3.0E+32 5.0E+07 4.0E+22 0 2.4E+04

HCN 3.8E+16 4.0E+16 IR - ISO LvD 8.0E+31 5.0E+07 5.0E+22 0 7.5E+04

HNC 4.6E+15 9.6E+14 submm - JCMT Do 5.0E+29 1.0E+08 5.0E+22 0 5.6E+03

HC₃N 9.2E+13 1.8E+15 submm - JCMT Do 1.0E+30 5.0E+07 5.0E+22 0 1.4E+05

HCO⁺ 3.5E+15 9.6E+14 submm - JCMT vdT99 7.0E+30 3.0E+07 4.0E+22 0 1.8E+04

HCS⁺ 1.7E+13 1.8E+13 submm - JCMT vdT03 9.0E+31 2.0E+07 3.0E+22 10 1.0E+04

H₃⁺ 1.8E+14 2-3E+14 IR - UKIRT Mc 2.0E+32 3.0E+08 7.0E+22 0 5.6E+03

H₂O 6.4E+17 3.5E+18 IR - ISO Bmv 1.0E+30 7.0E+06 2.0E+22 0 4.2E+04

H₂S 5.3E+12 7.3E+14 submm - JCMT vdT03 5.0E+30 3.0E+07 3.0E+22 0 5.6E+03

H₂CO 2.1E+15 3.8E+14 submm - JCMT vdT00 Model 0 0 3.2E+05 (4.8E+14)

H₂CS 2.3E+13 2.8E+13 submm - JCMT vdT03 2.0E+32 2.0E+08 3.0E+22 10 1.0E+05

C₂H 3.8E+14 1.9E+14 submm - JCMT Do 6.0E+31 1.0E+08 5.0E+22 0 1.0E+05

C₂H₂ 3.3E+14 2.0E+16 IR - ISO LvD Model 0 0 5.6E+04 (1.0E+15)

CH₄ 2.6E+16 2.5E+17 IR - UKIRT Do 7.0E+32 7.0E+07 5.0E+22 0 3.2E+05 (3.7E+16)

CH₃OH 3.4E+13 2.8E+15 submm - JCMT vdT00 5.0E+31 1.0E+07 1.0E+23 0 1.3E+04

CH₃CN 2.6E+14 1.8E+15 submm - JCMT Do 1.0E+30 5.0E+07 1.0E+22 0 3.2E+05 (9.5E+14)

CO₂ 2.0E+16 2.5E+16 IR - ISO Bm03 3.0E+32 3.0E+07 3.0E+22 0 2.4E+05

CS 1.9E+15 9.6E+14 submm - JCMT vdT03 6.0E+31 1.0E+08 3.0E+22 10 2.4E+05

CN 5.6E+14 4.5E+15 submm - JCMT Do 5.0E+32 5.0E+07 5.0E+22 0 1.8E+04

OCS 8.8E+14 9.6E+14 submm - JCMT vdT03 6.0E+31 5.0E+07 3.0E+22 0 1.4E+05

NH₃ 5.7E+15 1.9E+15 cm - Effelsberg Do 5.0E+30 1.0E+08 7.0E+22 0 1.0E+04

N₂H⁺ 4.9E+13 4.7E+13 submm - JCMT St 7.0E+31 1.0E+08 3.0E+22 0 1.0E+04

SO 1.8E+16 9.6E+14 submm - JCMT vdT03 Model 1 10 5.6E+04 (1.6E+15)

SO₂ 2.7E+15 1.9E+14 submm - JCMT vdT03 5.0E+32 3.0E+07 3.0E+22 0 1.0E+04 (6.9E+14)

NS 2.4E+12 4.7E+11 submm - JCMT vdT03 6.0E+31 3.0E+07 3.0E+22 10 5.6E+03 (2.0E+12)

The column density of a model with the parameters $L_{{\rm X}}$ , $T{_{{\rm X}}}$ , $N{_{{\rm H,in}}}$ , $G_{{\rm0,in}}$ and time given in Cols. 6-10 match the observed column density. If no model was found to give a good fit, the best fitted model is presented with the column density given in brackets at the end of the line.
References: Bm01 Boonman et al. (2001), Bm03 Boonman et al. (2003b), Bmv Boonman & van Dishoeck (2003), Do Doty et al. (2002), LvD Lahuis & van Dishoeck (2000), Mc McCall et al. (1999), St Stark et al. (1999), vdT99 van der Tak (1999), vdT00 van der Tak (2000), vdT03 van der Tak (2003).

**Table E.1:** Comparison of best-fitting models with observed radial column densities for AFGL 2591.
Species	Model 6	Observed	Data	Reference	$L_{{\rm X}}$	$T{_{{\rm X}}}$	$N{_{{\rm H,in}}}$	$G_{{\rm0,in}}$	Time
	[cm^-2]	[cm^-2]			[erg s^-1]	[K]	[cm^-2]		[yr]
HCN	3.8E+16	1.2E+16	submm - JCMT	Bm01	3.0E+32	5.0E+07	4.0E+22	0	2.4E+04
HCN	3.8E+16	4.0E+16	IR - ISO	LvD	8.0E+31	5.0E+07	5.0E+22	0	7.5E+04
HNC	4.6E+15	9.6E+14	submm - JCMT	Do	5.0E+29	1.0E+08	5.0E+22	0	5.6E+03
HC₃N	9.2E+13	1.8E+15	submm - JCMT	Do	1.0E+30	5.0E+07	5.0E+22	0	1.4E+05
HCO⁺	3.5E+15	9.6E+14	submm - JCMT	vdT99	7.0E+30	3.0E+07	4.0E+22	0	1.8E+04
HCS⁺	1.7E+13	1.8E+13	submm - JCMT	vdT03	9.0E+31	2.0E+07	3.0E+22	10	1.0E+04
H₃⁺	1.8E+14	2-3E+14	IR - UKIRT	Mc	2.0E+32	3.0E+08	7.0E+22	0	5.6E+03
H₂O	6.4E+17	3.5E+18	IR - ISO	Bmv	1.0E+30	7.0E+06	2.0E+22	0	4.2E+04
H₂S	5.3E+12	7.3E+14	submm - JCMT	vdT03	5.0E+30	3.0E+07	3.0E+22	0	5.6E+03
H₂CO	2.1E+15	3.8E+14	submm - JCMT	vdT00	Model 0			0	3.2E+05	(4.8E+14)
H₂CS	2.3E+13	2.8E+13	submm - JCMT	vdT03	2.0E+32	2.0E+08	3.0E+22	10	1.0E+05
C₂H	3.8E+14	1.9E+14	submm - JCMT	Do	6.0E+31	1.0E+08	5.0E+22	0	1.0E+05
C₂H₂	3.3E+14	2.0E+16	IR - ISO	LvD	Model 0			0	5.6E+04	(1.0E+15)
CH₄	2.6E+16	2.5E+17	IR - UKIRT	Do	7.0E+32	7.0E+07	5.0E+22	0	3.2E+05	(3.7E+16)
CH₃OH	3.4E+13	2.8E+15	submm - JCMT	vdT00	5.0E+31	1.0E+07	1.0E+23	0	1.3E+04
CH₃CN	2.6E+14	1.8E+15	submm - JCMT	Do	1.0E+30	5.0E+07	1.0E+22	0	3.2E+05	(9.5E+14)
CO₂	2.0E+16	2.5E+16	IR - ISO	Bm03	3.0E+32	3.0E+07	3.0E+22	0	2.4E+05
CS	1.9E+15	9.6E+14	submm - JCMT	vdT03	6.0E+31	1.0E+08	3.0E+22	10	2.4E+05
CN	5.6E+14	4.5E+15	submm - JCMT	Do	5.0E+32	5.0E+07	5.0E+22	0	1.8E+04
OCS	8.8E+14	9.6E+14	submm - JCMT	vdT03	6.0E+31	5.0E+07	3.0E+22	0	1.4E+05
NH₃	5.7E+15	1.9E+15	cm - Effelsberg	Do	5.0E+30	1.0E+08	7.0E+22	0	1.0E+04
N₂H⁺	4.9E+13	4.7E+13	submm - JCMT	St	7.0E+31	1.0E+08	3.0E+22	0	1.0E+04
SO	1.8E+16	9.6E+14	submm - JCMT	vdT03	Model 1			10	5.6E+04	(1.6E+15)
SO₂	2.7E+15	1.9E+14	submm - JCMT	vdT03	5.0E+32	3.0E+07	3.0E+22	0	1.0E+04	(6.9E+14)
NS	2.4E+12	4.7E+11	submm - JCMT	vdT03	6.0E+31	3.0E+07	3.0E+22	10	5.6E+03	(2.0E+12)

Source LaTeX | All tables | In the text

	1 Introduction
	2 Model
	3 X-ray induced chemistry
	4 Results and discussion
	5 X-ray tracers
	6 AFGL 2591 models
	7 Calculated emission lines
	8 Conclusion
	References
	Online Material
	Appendix A: Initial chemical abundances
	Appendix B: Electron recombination and charge transfer reactions
	Appendix C: Influence of $T{_{{\rm X}}}$ and $N{_{{\rm H,in}}}$
	Appendix D: Influence of an outer FUV field and cosmic rays
	Appendix E: Comparison to observations