Correction: Modelling and prediction of the thermophysical properties of aqueous mixtures of choline geranate and geranic acid (CAGE) using SAFT-γ Mie

Abstract

Correction for ‘Modelling and prediction of the thermophysical properties of aqueous mixtures of choline geranate and geranic acid (CAGE) using SAFT-γ Mie’ by Silvia Di Lecce et al., RSC Adv., 2019, 9, 38017–38031. DOI: 10.1039/C9RA07057E

The authors regret the omission of one of the authors, David Pugh, from the original manuscript. The corrected list of authors and affiliations for this paper is as shown here.

In addition, we point readers to ref. 1 and 2, together with ref. 17–21 in the original paper, for a complete description of the association contribution to the SAFT-γ Mie equation of state.

The authors also wish to correct a number of typographical errors in Tables 3 and 4. The corrected Tables 3 and 4 are shown below; the letters and numbers in bold indicate the corrected values.

Unlike dispersion interaction energies (ε_kl/k_B)/K and repulsive exponents λ^r_kl for use within the SAFT-γ Mie group-contribution approach. CR indicates a combining rule is used to determine the value of the corresponding parameter. The unlike dispersion interactions indicated with CR are calculated using eqn (7) for uncharged groups and eqn (10) for charged groups. The combining rule is used to determine the value of λ^r_kl is given in eqn (6). The unlike group diameters σ_kl are obtained using the combining rule given in eqn (5) in all cases.

Group k	Group l	(εkl/kB)/K	λ r	Ref.	Group k	Group l	(εkl/kB)/K	λ r	Ref.
CH3/adjCH3	CH3/adjCH3	256.77	15.050	17	CH	Cl−	CR	CR	This work
CH3/adjCH3	CH2/adjCH2	350.77	CR	17	COOH	COOH	405.78	8.0000	18
CH3/adjCH3	CH2	333.48	CR	18	COOH	H2O	289.76	CR	19
CH3/adjCH3	CH	252.41	CR	18	COOH	CH2OH	656.80	CR	19
CH3/adjCH3	COOH	255.99	CR	18	COOH	C	609.87	CR	This work
CH3/adjCH3	H2O	358.18	100.00	19	COOH	COO−	405.78	8.0000	This work
CH3/adjCH3	CH2OH	333.20	CR	19	COOH	N+	CR	CR	This work
CH3/adjCH3	C	281.40	CR	69	COOH	Na+	CR	CR	This work
CH3	COO−	255.99	CR	This work	COOH	K+	CR	CR	This work
adjCH3	COO−	509.37	CR	This work	COOH	Cl−	CR	CR	This work
CH3/adjCH3	N+	462.18	CR	This work	H2O	H2O	266.68	17.020	68
CH3/adjCH3	Na+	CR	CR	This work	H2O	CH2OH	353.37	CR	19
CH3/adjCH3	K+	CR	CR	This work	H2O	C	310.91	8.0000	This work
CH3/adjCH3	Cl−	CR	CR	This work	H2O	COO−	171.61	CR	This work
CH2/adjCH2	CH2/adjCH2	473.39	19.871	17	H2O	N+	1481.3	21.217	This work
CH2/adjCH2	CH2	386.80	CR	18	H2O	Na+	539.68	CR	20
CH2/adjCH2	CH	459.40	CR	18	H2O	K+	376.25	CR	20
CH2/adjCH2	COOH	413.74	CR	18	H2O	Cl−	95.406	CR	20
CH2/adjCH2	H2O	423.63	100.00	19	CH2OH	CH2OH	407.22	22.699	19
CH2/adjCH2	CH2OH	423.17	CR	19	CH2OH	C	799.66	CR	This work
CH2/adjCH2	C	286.58	CR	69	CH2OH	COO−	656.80	CR	This work
CH2	COO−	413.74	CR	This work	CH2OH	N+	440.99	CR	This work
adj CH 2	COO−	780.24	CR	This work	CH2OH	Na+	CR	CR	This work
CH2/adjCH2	N+	348.30	CR	This work	CH2OH	K+	CR	CR	This work
CH2/adjCH2	Na+	CR	CR	This work	CH2OH	Cl−	CR	CR	This work
CH2/adjCH2	K+	CR	CR	This work	C	C	1500.0	8.0000	69
CH2/adjCH2	Cl−	CR	CR	This work	C	COO−	609.87	CR	This work
CH2	CH2	300.90	20.271	18	C	N+	CR	CR	This work
CH2	CH	275.75	CR	18	C	Na+	CR	CR	This work
CH2	COOH	CR	CR	This work	C	K+	CR	CR	This work
CH2	H2O	387.25	94.463	This work	C	Cl−	CR	CR	This work
CH2	CH2OH	375.51	CR	This work	COO−	COO−	21.264	8.0000	This work
CH2	C	203.76	CR	This work	COO−	N+	24.280	CR	This work
CH2	COO−	CR	CR	This work	COO−	Na+	9.9125	CR	This work
CH2	N+	CR	CR	This work	COO−	K+	23.999	CR	This work
CH2	Na+	CR	CR	This work	COO−	Cl−	47.154	CR	This work
CH2	K+	CR	CR	This work	N+	N+	62.971	8.8971	This work
CH2	Cl−	CR	CR	This work	N+	Na+	CR	CR	This work
CH	CH	952.54	15.974	18	N+	K+	CR	CR	This work
CH	COOH	453.13	CR	This work	N+	Cl−	61.989	CR	This work
CH	H2O	332.21	17.309	This work	Na+	Na+	31.711	12.000	20
CH	CH2OH	414.91	CR	This work	Na+	K+	CR	CR	This work
CH	C	1195.3	CR	69	Na+	Cl−	27.938	CR	20
CH	COO−	453.13	CR	This work	K+	K+	90.097	12.000	20
CH	N+	CR	CR	This work	K+	Cl−	61.010	CR	20
CH	Na+	CR	CR	This work	Cl−	Cl−	113.77	12.000	20
CH	K+	CR	CR	This work

Association energy ε^HB_ab,kl/k_B and bonding volume K^HB_ab,kl parameters for use within the SAFT-γ Mie group-contribution approach. For groups with several site types, the interactions are symmetrical, i.e., ε^HB_ab,kl = ε^HB_ba,lk. Interactions not reported here are set to zero.

Group k	Site a of group k	Group l	Site b of group l	(εHBab,kl/kB)/K	K HB /Å3	Ref.
COOH	H	COOH	H	6427.9	0.8062	18
COOH	e1	H2O	H	1451.8	280.89	19
COOH	e2	H2O	H	1252.6	150.98	19
COOH	H	H2O	e1	2567.7	270.09	19
COOH	e1	CH2OH	H	1015.5	21.827	19
COOH	e2	CH2OH	H	547.42	53.150	19
COOH	H	CH2OH	e1	524.04	14.017	19
H2O	e1	H2O	H	1985.4	101.69	68
H2O	e1	CH2OH	H	621.68	425.00	19
H2O	H	CH2OH	e1	2153.2	147.40	19
H2O	H	COO−	e1	802.21	52.555	This work
H2O	e1	N+	H	2783.7	15.536	This work
CH2OH	e1	CH2OH	H	2097.9	62.309	19
CH2OH	e1	N+	H	1247.2	286.83	This work

The Royal Society of Chemistry apologises for these errors and any consequent inconvenience to authors and readers.