• Aucun résultat trouvé

Molecular modeling of thermodynamical properties of the poly(vinyl alcohol) active layer used in ethanol pervaporation dehydration processes

N/A
N/A
Protected

Academic year: 2021

Partager "Molecular modeling of thermodynamical properties of the poly(vinyl alcohol) active layer used in ethanol pervaporation dehydration processes"

Copied!
4
0
0

Texte intégral

(1)

HAL Id: hal-01270226

https://hal.archives-ouvertes.fr/hal-01270226

Submitted on 5 Feb 2016

HAL is a multi-disciplinary open access

archive for the deposit and dissemination of

sci-entific research documents, whether they are

pub-lished or not. The documents may come from

teaching and research institutions in France or

abroad, or from public or private research centers.

L’archive ouverte pluridisciplinaire HAL, est

destinée au dépôt et à la diffusion de documents

scientifiques de niveau recherche, publiés ou non,

émanant des établissements d’enseignement et de

recherche français ou étrangers, des laboratoires

publics ou privés.

Molecular modeling of thermodynamical properties of

the poly(vinyl alcohol) active layer used in ethanol

pervaporation dehydration processes

Olivier Vitrac, Maurice Oltheten, Marie-Laure Lameloise, Yohann Imbert,

Violaine Athes-Dutour, Marwen Moussa

To cite this version:

Olivier Vitrac, Maurice Oltheten, Marie-Laure Lameloise, Yohann Imbert, Violaine Athes-Dutour, et

al.. Molecular modeling of thermodynamical properties of the poly(vinyl alcohol) active layer used in

ethanol pervaporation dehydration processes. Euromembrane Conference 2012, European Membrane

Society. INT.; Imperial College London. GBR., Sep 2012, Londres, United Kingdom. pp.1920-1922.

�hal-01270226�

(2)

Procedia Engineering 44 ( 2012 ) 1920 – 1922 1877-7058 © 2012 Published by Elsevier Ltd. doi: 10.1016/j.proeng.2012.08.1005 (XURPHPEUDQH&RQIHUHQFH >3@ 0ROHFXODUPRGHOLQJRIWKHUPRG\QDPLFDOSURSHUWLHVRIWKHSRO\ YLQ\ODOFRKRO DFWLYHOD\HU XVHGLQHWKDQROSHUYDSRUDWLRQGHK\GUDWLRQSURFHVVHV

29LWUDF02OWKHWHQ0//DPHORLVH <,PEHUW9$WKHV00RXVVDHWDO



$JUR3DULV7HFK)UDQFH,15$)UDQFH

,QWURGXFWLRQ

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



6LPXODWLRQGHWDLOV

7KHELQDU\V\VWHPVFRQVLVWLQJLQFKDLQVRIPRQRPHUVDQGDSURSHUQXPEHURIZDWHURU HWKDQRO PROHFXOHV WR UHDFK PDVV IUDFWLRQV RI       DQG  ZHUH

Available online at www.sciencedirect.com

(3)

1921 O. Vitrac et al. / Procedia Engineering 44 ( 2012 ) 1920 – 1922

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

(4)

1922 O. Vitrac et al. / Procedia Engineering 44 ( 2012 ) 1920 – 1922

>@-&KHP3K\V  

>@3RO\P  

>@-&KHP3K\V  

>@&KHP0DWWHU  

>@)OXLG3KDVH(TXLO  

>@&KHP(QJ6FL  

>@-0HPEU6FL  

>@-&KHP3K\V  

.H\ZRUGV0ROHFXODUG\QDPLFV3RO\ YLQ\ODOFRKRO 3HUYDSRUDWLRQ7KHUPRG\QDPLFV





Références

Documents relatifs

7KH KLJK YROXPH QHHG FRVW DQG ODFN RI DYDLODELOLW\ RI WHWUDF\FOLQH H\H RLQWPHQW LQ VRPH SDUWLFLSDQW HQGHPLF FRXQWULHV LV D PDMRU FRQVWUDLQW ,W ZDV UHFRPPHQGHG WKDW LQYHVWLJDWLRQ

WR HQVXUH WKDWDOO DVSHFWV RI UHSURGXFWLYH DQG VH[XDO KHDOWK LQFOXGLQJ LQWHU DOLD PDWHUQDODQG QHRQDWDO KHDOWK DUHLQFOXGHG ZLWKLQ QDWLRQDO PRQLWRULQJ DQG UHSRUWLQJ

7KURXJKRXW WKLV VWXG\ WKH LPSDFW RI WKH OLQNHU UHJLRQ RQ WKH PROHFXODU UHFRJQLWLRQ RI 67$0 WRZDUG XELTXLWLQ DQG GLXELTXLWLQ FKDLQ KDV EHHQ FODULILHG %\ PRGLI\LQJ WKLV

$FFRUGLQJ WR WKLV ODVW UHVHDUFK WKH WKUHH GLPHQVLRQV RI EXUQRXW KDYH QHJDWLYH FRUUHODWLRQV ZLWK 3:% DQG RUJDQL]DWLRQDO FRPPLWPHQW )LQDOO\ ZH QRWH &gt;@ WKDW WKH SHUIRUPDQFH RI

7KH UHODWLYHO\ KLJK VSHHG RI WKHVH WXUELQHV PHDQV WKDW ³FRQYHQWLRQDO´ URWDWLQJ JHQHUDWRUV ZLWK QRPLQDO URWDWLRQ VSHHGV RI USP RU USP FDQ EH XVHG LQ WKH NQRZOHGJH WKDW WKH XVH

DHo-1 P51$OHYHOVRVFLOODWHLQPRXVHSHULWRQHDOPDFURSKDJHV7KHVHGDWDDUHWDNHQIURPRXUH[SHULPHQWVSXEOLVKHGLQ.HOOHU0et al.

Rqh ri wkh prvw dwwudfwlyh ihdwxuhv ri erxqghg0huuru hvwlpdwlrq lv wkh idfw wkdw lwv uhvxowv fdq eh jxdudqwhhg hyhq iru qrqolqhdu prghov dqg qlwh gdwd vhwv/ surylghg wkdw d ihz

%LRGLYHUVLW\ $VVHVVPHQW *6%, 7KH PDLQ JRDO RI WKLV WDON LV WR V\QWKHVL]H WKH FXUUHQW PHWKRGRORJLFDODSSURDFKHVWRPHDVXUHVWUXFWXUDODQGIXQFWLRQDOGLYHUVLW\RIVRLORUJDQLVPVDQG WR LGHQWLI\