Comment/Reply pubs.acs.org/jced
Cite This: J. Chem. Eng. Data XXXX, XXX, XXX−XXX
Reply to “Comment on ‘Measurement and Correlation of the Solubility of Florfenicol Form A in Several Pure and Binary Solvents’” Pengshuai Zhang,† Tao Li,*,† and Baozeng Ren*,† †
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School of Chemical Engineering and Energy, Zhengzhou University, Zhengzhou 450001, P. R. China ABSTRACT: The Comment on “Measurement and Correlation of the Solubility of Florfenicol Form A in Several Pure and Binary Solvents” is helpful for us to improve the accuracy and quality of the work we published recently. On the basis of the valuable comments, we checked our article carefully and discussed in depth the corresponding section. The main reason for this discrepancy is the mistake of omitting the universal gas constant R in the process of fitting the parameters of the nonrandom two-liquid (NRTL) model equation and the Wilson model equation. The errors should be corrected and in this reply the values of the mole fraction solubility calculated with the corrected model parameters of the NRTL model equation and Wilson model equation are presented.
n the paper, J.Chem.Eng.Data 2018, 63, 2046−2055, DOI: 10.1021/acs.jced.8b00043, the solubility of florfenicol form A in several pure and binary solvents was determined by using a laser dynamic method. Furthermore, the experimental solubility data are correlated with the modified Apelblat equation, λh equation, nonrandom two-liquid (NRTL) model equation, and Wilson model equation. The commentary (je-2018−00435b) by Chen et al. is very helpful. The authors said that the back-calculated values with the NRTL model parameters in Table 6 in our original work1 did not agree with the mole fraction solubility as stated in the
I
published paper; this was also confirmed by our group after we checked the corresponding section. The main reason for this discrepancy is the mistake of omitting the universal gas constant R in the process of fitting the parameters of the NRTL model equation and Wilson model equation with the software (math CAD, version 2015). The values in error in Table 2 in our original work1 should be corrected, and in this reply the recalculated values of the mole fraction solubility with the corrected model parameters are listed in Table 1 (Corrigendum), the corrected model parameters of the NRTL model equation and Wilson model equation are listed in Table 2 (Corrigendum).
Table 1. (Corrigendum). Experimental and Calculated Solubility Values of Florfenicol Form A in the Different Pure Solvents from T = 283.15 to T = 323.15 K at Atmospheric Pressurae 103x1,cal T(K)
103x1
283.15 288.15 293.15 298.15 303.15 308.15 313.15 318.15 323.15 100RAD
1.510 1.963 2.435 3.093 3.695 4.612 5.623 7.023 8.417
283.15 288.15 293.15 298.15 303.15
0.5123 0.6482 0.8212 1.120 1.398
103x1,cal
103xNRTL
103xWilson
T(K)
103x1
1.559 1.947 2.423 3.003 3.711 4.577 5.641 6.955 8.594 1.335
1.568 1.949 2.415 2.987 3.689 4.557 5.634 6.985 8.699 1.583
283.15 288.15 293.15 298.15 303.15 308.15 313.15 318.15 323.15 100RAD
0.9742 1.245 1.653 2.152 2.688 3.586 4.366 5.632 7.122
0.5125 0.6594 0.8459 1.084 1.388
0.5093 0.6570 0.8452 1.086 1.395
283.15 288.15 293.15 298.15 303.15
0.6097 0.7605 1.008 1.333 1.692
Ethanol
103xNRTL
103xWilson
1.007 1.284 1.633 2.077 2.643 3.377 4.348 5.678 7.622 2.988
1.001 1.279 1.631 2.079 2.654 3.399 4.379 5.697 7.526 2.636
0.6149 0.7895 1.011 1.293 1.655
0.6111 0.7864 1.010 1.295 1.662
1-Propanol
1-Butanol
2-Propanol
Received: July 5, 2018 Accepted: July 11, 2018
© XXXX American Chemical Society
A
DOI: 10.1021/acs.jced.8b00575 J. Chem. Eng. Data XXXX, XXX, XXX−XXX
Journal of Chemical & Engineering Data
Comment/Reply
Table 1. continued 103x1,cal T(K)
103x1
308.15 313.15 318.15 323.15 100RAD
1.827 2.358 3.016 3.852
103xNRTL
103x1,cal 103xWilson
T(K)
103x1
1.795 2.320 3.020 3.978 1.659
308.15 313.15 318.15 323.15 100RAD
2.182 2.778 3.633 4.572
0.2948 0.3814 0.4917 0.6321 0.8114 1.041 1.339 1.728 2.247 1.227
283.15 288.15 293.15 298.15 303.15 308.15 313.15 318.15 323.15 100RAD
0.1891 0.2439 0.3128 0.3992 0.5074 0.6427 0.812 1.024 1.292 2.000
283.15 288.15 293.15 298.15 303.15 308.15 313.15 318.15 323.15 100RAD
1-Butanol
283.15 288.15 293.15 298.15 303.15 308.15 313.15 318.15 323.15 100RAD 283.15 288.15 293.15 298.15 303.15 308.15 313.15 318.15 323.15 100RAD
103xNRTL
103xWilson
2-Propanol
1.783 2.304 3.013 4.032 2.033 2-Methyl-1-propanol 0.2932 0.2953 0.3852 0.3819 0.4969 0.4920 0.6127 0.6318 0.8192 0.8101 1.045 1.039 1.368 1.335 1.703 1.727 2.239 2.259 1.343 2-Ethyl-1-hexanol 0.1833 0.1908 0.2541 0.2448 0.3193 0.3126 0.3826 0.3976 0.5210 0.5043 0.6353 0.6385 0.8127 0.808 1.026 1.024 1.286 1.303 2.174
2.125 2.748 3.601 4.843 2.300 3-Methyl-1-butanol 0.4867 0.4770 0.5862 0.6058 0.7653 0.7654 0.9591 0.9627 1.233 1.206 1.492 1.508 1.910 1.881 2.380 2.345 2.854 2.927 1.606 Propionic 0.2703 0.2729 0.3470 0.3490 0.4475 0.4457 0.5621 0.5689 0.7303 0.7273 0.9614 0.9339 1.226 1.210 1.603 1.593 2.105 2.173 1.289
2.139 2.767 3.612 4.780 1.773 0.4780 0.6060 0.7647 0.9612 1.205 1.506 1.880 2.347 2.933 1.597 0.2668 0.3457 0.4464 0.5751 0.7401 0.9530 1.230 1.596 2.088 0.9046
a
(1)Standard uncertainty u is u(T) = 0.05 K. The relative standard uncertainties u are ur(xexp) = 0.02, ur(P) = 0.05. (2) T is the absolute temperature. (3) The experimental pressure was about 101.3 kPa;
Table 2. (Corrigendum). Regression Results in the Pure Solvents solvents
paramters
ethanol
1-propanol
1-butanol
2-propanol
2-methyl-1 -propanol
3-methyl- 1-butanol
2-ethyl- 1-hexanol
propionic
NRTL
α Δg12 Δg21 104RMSD Δλ12 Δλ21 104RMSD
0.47 −666.88 9853.04 0.7349 4949.66 4312.38 1.051
0.60 −640.14 11017.25 1.847 7503.71 2768.73 1.533
0.60 −734.29 12706.13 0.6622 9484.27 2368.18 0.4738
0.60 −732.27 12287.75 0.9567 8640.75 2782.85 0.7359
0.60 −622.93 13793.54 0.1686 10446.21 2675.51 0.1508
0.47 −1216.06 13396.93 0.3126 9000.76 3148.42 0.3268
0.47 −2251.09 1756.94 0.1066 11976.53 2395.43 0.09036
0.47 −2797.66 18239.84 0.2530 10165.06 3192.54 0.09124
Wilson
Table 3. (Corrigendum). The RD of Experimental and Calculated Solubility Values of Florfenicol Form A in the Different Pure Solvents from T = 283.15 K to T = 323.15 K at Atmospheric Pressure 100RD T(K)
103x1
NRTL
100RD T(K)
Wilson
Ethanol 283.15 288.15 293.15 298.15 303.15 308.15 313.15 318.15 323.15
1.510 1.963 2.435 3.093 3.695 4.612 5.623 7.023 8.417
283.15 288.15
0.5123 0.6482
−3.219 0.7916 0.5097 2.923 −0.4276 0.7546 −0.3203 0.9654 −2.102 1-Butanol −0.0929 −1.759
−3.838 0.7219 0.8144 3.433 0.1510 1.199 −0.1976 0.5449 −3.350
283.15 288.15 293.15 298.15 303.15 308.15 313.15 318.15 323.15
0.5254 −1.392
283.15 288.15 B
103x1
NRTL
1-Propanol 0.9742 −3.367 1.245 −3.119 1.653 1.185 2.152 3.502 2.688 1.630 3.586 5.828 4.366 0.4143 5.632 −0.8232 7.122 −7.027 2-Propanol 0.6097 −0.8383 0.7605 −3.817
Wilson −2.731 −2.698 1.340 3.381 1.223 5.213 −0.3028 −1.160 −5.678 −0.2285 −3.413
DOI: 10.1021/acs.jced.8b00575 J. Chem. Eng. Data XXXX, XXX, XXX−XXX
Journal of Chemical & Engineering Data
Comment/Reply
Table 3. continued 100RD T(K) 293.15 298.15 303.15 308.15 313.15 318.15 323.15 283.15 288.15 293.15 298.15 303.15 308.15 313.15 318.15 323.15 283.15 288.15 293.15 298.15 303.15 308.15 313.15 318.15 323.15
10 x1 3
NRTL
1-Butanol 0.8212 −3.035 1.120 3.259 1.398 0.7067 1.827 2.407 2.358 2.278 3.016 0.08488 3.852 −4.678 2-Methyl-1-propanol 0.2932 −0.7143 0.3852 0.8404 0.4969 0.9913 0.6127 −3.126 0.8192 1.119 1.045 0.6281 1.368 2.359 1.703 −1.420 2.239 −0.8940 2-Ethyl-1-hexanol 0.1833 −4.139 0.2541 3.641 0.3193 2.1018 0.3826 −3.933 0.5210 3.207 0.6353 −0.5083 0.8127 0.5651 1.026 0.1287 1.286 −1.338
100RD T(K)
Wilson −2.952 3.055 0.2318 1.755 1.629 −0.1194 −3.266
293.15 298.15 303.15 308.15 313.15 318.15 323.15
−0.5529 0.9707 1.053 −3.168 0.9622 0.3727 2.087 −1.522 −0.3562
283.15 288.15 293.15 298.15 303.15 308.15 313.15 318.15 323.15
−3.181 4.006 2.039 −4.351 2.615 −1.171 0.0756 0.0985 −0.4624
283.15 288.15 293.15 298.15 303.15 308.15 313.15 318.15 323.15
10 x1 3
NRTL
2-Propanol 1.008 −0.3305 1.333 2.989 1.692 2.208 2.182 2.627 2.778 1.082 3.633 0.8898 4.572 −5.921 3-Methyl-1-butanol 0.4867 1.987 0.5862 −3.338 0.7653 −0.0151 0.9591 −0.3699 1.233 2.119 1.492 −1.0732 1.910 1.547 2.380 1.458 2.854 −2.548 Propionic 0.2703 −0.9552 0.3470 −0.5864 0.4475 0.4101 0.5621 −1.207 0.7303 0.4084 0.9614 2.858 1.226 1.321 1.603 0.6492 2.105 −3.210
Wilson −0.1965 2.842 1.782 1.981 0.3771 0.5867 −4.550 1.782 −3.371 0.0711 −0.2208 2.271 −0.9606 1.572 1.373 −2.755 1.300 0.3784 0.2501 −2.313 −1.348 0.8676 −0.3543 0.4795 0.8501
We also would like to appreciate and give thanks to the editors, reviewers, and readers.
The NRTL model is an activity coefficient equation and can be widely used to correlate the solid−liquid equilibrium. This model equation is based on the local composition model, and the value of activity coefficient γ1 can be derived by eq 1 as follows: ÅÄÅ Δg21 −α Δg /(RT ) 2 ÅÅ (e 12 21 ) Å ln γ1 = x 22ÅÅÅÅ RT − Δ /( ) 2 α g RT 12 21 ) ÅÅÅ (x1 + x 2 e ÅÇ ÑÉÑ Δg12 −α Δg /(RT ) 12 12 ÑÑÑ (e ) RT ÑÑ + Ñ (x 2 + x1 e−α12Δg12 /(RT ))2 ÑÑÑÑ (1) ÑÖ
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AUTHOR INFORMATION
Corresponding Authors
*E-mail:
[email protected]. Tel.: +86-371-67781267. Fax: +86-371-67781267. *E-mail:
[email protected]. Tel.: +86-371-67781267. Fax: +86-371-67781267. ORCID
Tao Li: 0000-0003-1780-8009 Notes
The authors declare no competing financial interest.
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where the parameter α12 represents the nonrandomness of the solution; Δg12 and Δg21 are the cross interaction energy parameters, and the values of them are generally considered as constant; x1 is the mole fraction solubility of Florfenicol Form A at absolute temperature T; x2 is the mole fraction of the solvent in the solution; R is the universal gas constant, the value of which is 8.314 J·mol−1·K−1; the corrected values of the parameter α12, Δg12, and Δg21 were listed in Table 2 (Corrigendum). In addition, the original RD values (Table S-1 in the Supporting Information that is available free of charge on the ACS Publications Web site at DOI: 10.1021/acs.jced.8b00043) about the NRTL model were corrected, and the recalculated RD values are listed in Table 3 (Corrigendum) in this reply. We appreciate Chen’s valuable comments and that is very helpful for improving the quality and the accuracy of our study.
ACKNOWLEDGMENTS This study was financially supported by the National Science Foundation of China (Grant No. 21506197; Grant No. 21646011).
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REFERENCES
(1) Zhang, P. S.; Zhang, C.; Zhao, R.; Wan, Y. M.; Yang, Z. K.; He, R. Y.; Chen, Q. L.; Li, T.; Ren, B. Z. Measurement and Correlation of the Solubility of Florfenicol Form A in Several Pure and Binary Solvents. J. Chem. Eng. Data 2018, 63 (6), 2046−2055.
C
DOI: 10.1021/acs.jced.8b00575 J. Chem. Eng. Data XXXX, XXX, XXX−XXX
