The calculation method for SNE

Transcription

1 Elctroic Supplmtary Matrial (ESI) for RSC Advacs. This joural is Th Royal Socity of Chmistry 015 Th ulatio mthod for SNE (1) Slct o isothrm ad o rror fuctio (for xampl, th ERRSQ rror fuctio) ad gt th solvr add-i output to dtrmi th isothrm paramtrs i a way that miimizs th applid rror fuctio (i this cas, ERRSQ). (If th applid rror fuctio is th cofficit of dtrmiatio, th solvr add-i must b adjustd o maximizig.) () Dtrmi th valus of othr rror fuctios basd o isothrm paramtrs obtaid from stp (1). (3) Prform th abov stps xactly for all othr rror fuctios. (4) Slct th maximum output of ach rror fuctio from all sts. I ordr to ulat th ormalizd rror, th valu of othr sts should b dividd ito th maximum valu. This should b do for all rror fuctios. (5) Calculat th summatio of all of ths ormalizd rrors for ach paramtr.

2 Tabl S1: Lists of rror fuctios Error fuctio Abbrviatio Dfiitio/xprssio Th cofficit of dtrmiatio R, mas, R, mas,, mas, Noliar chi-suar tst χ, mas, χ i 1, mas 1 Rsidual root ma suar rror RMSE RMSE, mas, i 1 Avrag rlativ rror A A 100, mas, i 1, mas Stadard dviatio of rlativ rrors S,, i 1 mas S A 1 Maruardt s prct stadard dviatio MPSD MPSD 100 1, mas, p i 1, mas Sum suars rrors ERRSQ ERRSQ, mas, mas : Masurd io coctratio; : ulatd io coctratio with modls; : th umbr of xprimtal data poits; p: th umbr of paramtrs i ach isothrm modl. i 1

3 Tabl S. Mathmatical uatios of th sigl-compot isothrm modls mployd 33 Isothrm No-liar uatio Liar uatio Frudlich K C 1/ f 1 l( ) l(k f ) l(c ) Lagmuir Rdlich Ptrso mkac C 1 1 C 1 K C K a m a m AC C l( A 1) ml(c ) l(b) m 1 BC a K f : Frudlich isothrm costat [(mg/g)(l/mg) 1/ ]; b : Frudlich xpot (dimsiolss) c m : Lagmuir moolayr adsorptio capacity (mg/g); d K a : Lagmuir isothrm costat (L/mg) A: Rdlich Ptrso isothrm costat (L/g); f B: Rdlich Ptrso isothrm costat (L/mg) 1/m g m: Rdlich-Ptrso costat.

4 Tabl S3. Th isothrm paramtrs ad rror dviatio data for th adsorptio of Pb(II) oto ZCl -MCM-41 obtaid by o-liar rgrssio mthod (T=0 C, ph=7, sorbt dosag=0.333 g L -1, 60 mi, 300 rpm) Frudlich (two paramtr isothrm) R RMSE A S MPSD ERRSQ K f 1/ R RMSE A S MPSD ERRSQ SNE Lagmuir (two paramtr isothrm) R RMSE A S MPSD ERRSQ m K a R

5 RMSE A S MPSD ERRSQ SNE Rdlich-Ptrso (thr paramtr isothrm) R RMSE A S MPSD ERRSQ A B m R RMSE A S MPSD

6 Tabl S4 Compariso of moolayr maximum adsorptio capacitis ( max ) of som adsorbts for Pb(II) rmoval from auous solutio Sorbt Iitial coctratio Amout of adsorbt Adsorptio capacity (mg/l) (g/l) (mg/g) Polyviylttrazol-graftd rsi Acryloitril Butadi Styr Naostructurd BiOBr Thiol graftd o silica gl F 3 O 4 aocapsuls Ami graftd msoporous silica mbddd with ao-magtit 6 Amio siloxa oligomr-likd graph oxid 7 ZCl -MCM-41 (this work) Y. Ch, M. H, C. Wag ad Y. Wi, Joural of Matrials Chmistry A, 014,, A. Masoumi, K. Hmmati ad M. Ghamy, RSC Advacs, 015, 5, X. Wag, W. Liu, J. Tia, Z. Zhao, P. Hao, X. Kag, Y. Sag ad H. Liu, Joural of Matrials Chmistry A, 014,, L. N. Arakaki, V. L. A. Filha, J. G. Espíola, M. G. da Fosca, S. F. d Olivira, T. Arakaki ad C. Airoldi, Joural of Eviromtal Moitorig, 003, 5, K. Chg, Y.-M. Zhou, Z.-Y. Su, H.-B. Hu, H. Zhog, X.-K. Kog ad Q.-W. Ch, Dalto Tras., 01, 41, J. Chug, J. Chu, J. L, S. H. L, Y. J. L ad S. W. Hog, Joural of hazardous matrials, 01, 39, S. Luo, X. Xu, G. Zhou, C. Liu, Y. Tag ad Y. Liu, Joural of hazardous matrials, 014, 74,

7 Fig. S1. Distributio of Pb(II) spcis as a fuctio of ph.

8 . Fig. S. Th ffct of ph o th adsorptio of Pb(II) ios o ZCl -MCM-41 at (C 0 =50 mgl -1 ; T=0 C; Sorbt dosag=0.333 gl -1 ; 300 rpm)

9 Fig. S3. Adsorptio isothrms of Pb(II) rmoval by ZCl -MCM-41