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C h i n e s eJC h e mE n g 1 1 ( 4 ) 4 4 1 4 4 5 ( 2 0 0 3AN e wM e t h o dt oS o l v eF i l mM o d e lf o rC 0 2A b s o r p t i o nw i t hA q u e o u sS o l u t i o no fN - M e t h y l d i e t h a n o l a m i n eZ H O N GZ h a n t i e ( 钟战铁) ，L 1w e i ( 李伟) ，S H IY a o ( 施耀) + ，H EF b n g ( 何锋) a n dZ H O UM i n g h u a ( 周明华)D e p a r t I e llo fE n v i r o n m e n t a lE n g i n e e r i n g Z h e j i a n gU n i v m s i t y ，H a n g z h o u3 1 0 0 2 7 ，C h i n aA b s t r a c tT h es h o e t i n gI n e t h o da n dt h ed i f f e r e n c em e t h o da r eu s e df o rn u m e r i c s ls i m u l a t i o no fC 0 2a b s o r p t i o nw l t l l 叫u ss o l u t i o n o fm e t h y l d i e t h a n o l a m i n e ( M D E A ) I ti sd e m o n s t r a t e dt h a t t h e s em e t h o d s 村ea v a i l a b l ef o rt h es t e a d v - s t a t eI n o d e l w h i c hm a yb ee x p r e s s e da sas e to fd i f f e r e n t i a la l g e b r a i ce q u a t i o n s ( D A E s ) w i t ht w o p o i n tb o n n d a r vv a l u e sT h i sm c t h e dm a k e i ts s i b l en o to n l yt oo b t a i nt h ec o n c e n t r a t i o np r o f i l e sf o rM D E As y s t e i n ，b u ta l s oL of e v e a lt h ee f f e c to fC 0 2i n t e r f u e l s lc o n c e n t r a t i o no nt h ee D h a i l c e i i l e l l tf a c t o r W i t ht h i sn n l l l e r i G a ls i m u l a t i o n ，t tL en t r a n s f e ep r o c e s sw i t hm u l t i c o m p o n e n td i f l u s i o na n dr e a c t i o n sc o i lb eb e t t e ru n d e r s t o o dK e y w o r d sf i l mm o d e l ，n u m e r i c s ls i m u l a t i o n ，c a r b o nd i o x i d e ，m e t h y l d i e t h a n o l a m i n e1I N T R o D U C T I o NA b s o r p t i o nw i t hc h e m i c a lr e a c t i o n 沁w i d e l yu s e di ni n d u s t r y s u c ha sC O a b s o r p t i o nw i t ha l k a _n o l a m i n e s ，a n dH 2 Sr e m o v a lb ya l k a l is o l u t i o nI ti sn e c e s s a r yt op r e d i c tt h ee 如c to fc h e m i c a lr e a c -l i o no na b s o r p t i o np r o c e s sb yu s i n gm o d e l so fr a t eo fn a s st r a n s f e e ，w h i c hm a yt a k et h ef o r m so ft h ew e l l - k n o w nf i h n p e n e t r a t i o no rs u r f a c er e u e w a lt h e o r i e sH o w e v e r ，t h em o d e l sf o rg e n e r a lr e a c t i o ns c h e m e sa r ec m t p l e dn o n l i n e a ro r d i n a r yo rp a r t i a ld i f f e r e n t i a le q u a t i ( ) n sS i n c ei ti sd i f l i c u l tt og e tt h e i ra n a l y t i c a ls o l u t i o n s n u m e r i c s ls o I n l i o n sa r eu n u s u a l l yc o n s i d e r e dP e r r ya n dP i g f o r d “C o r n e l i s s e re ta l 川a n dV e r s t e e ge ta l ，i s ls t u d i e dt h en u n l e r i c a lt e c h n i q u e sf o rt h em o d e l si n v o l v i n go n er e a c t i o ns c h e m eG l a s s c o c ka n dR o c h e l l e 4 JH a g e w i e s c h ee ta 1 【5 a n dR i n k e re ta 1 州o b t a i l i e dt i l es o l u t i o n sf o rl n u l t i c o m p o n e n td i f -f u s i o na i l dr e a c t i o n sb yu s i n gt h ec o d eD A S S L l 7a n dD D A S S L t sJ H o w e v e r t h e s ec o d e sh a v es o m er e s t r i c t i o n sF o re x a m p l e ，t h e ya r eo n l ya v a i l a b l ef o rt h ei n i t i a l - v a l u ep r o b l e m s ，s a dt h er i g o r o u sf o r i l lo ft i l ee q u a t i o n sa r er e q u i r e d sC 0 2a b s o r p t i o nw i t ha q u e o u ss o I n t i o no fN m e t h y l d i e t h a n o l a n f i n ef M D E A li sat y p i c a lm a s st r a n s f e rp r o c e s sw i t hn m l t i r e a c t i o n B u s e do nt h ef i h nt h e o r y t h i sp r o c e s sc a nb ee x p r e s s e da sas e to fd i t t e r e n t i a la l g e b r M ce q u a t i o n sf D A E s lw i t ht w o p o i n tb o u n d a r yv a h t e 8 ，A l t h o u g ht h ef i h nm o d e li sc o n s i d e r e das i m p l eo n e i ti sn o te a s yt os o l v et h ep r o b l e n l I nt h i sp a p e rt w od i f i e r e n tn u m e r i c “t e c h n i q u e sa r eu s e dt os o l v et h ep r o b l e mw i t ht h ep u r p o s eo fo b t a i n i n ga v a i l a b l em e t h o d sf o rt h i sk i n do fi n a s st r a n s f e rr a t em o d e l2M o D E Lo F0 0 2A B S o R P T I o NW I T HM D E AW h e nC O ai sa b s o r b e di n t oa na q u e o u ss o l u t i o no fat e r t i a r ya l k a n o l a n l i n e ，M D E A ，t h ef o l l 州i n gr e a c t i o n sm a yo c c u r 【C 0 2 + M D E A + H 2 0 童马M D E A H + + H C ( 圬C 0 2 + O H 一拦H C 0 7H C O i 十O H 盘c o l 一+ H 2 0M D E A H + + O H _ K 4 I v I D E A + H 2 02 H 2 0 _ K _ 5O H 一+ H a O +S i n c et h ec o n c e n t r a t i o no fh y d r o n i u mi o ni sv e r yl o wu n d e rt h ec o n d i t i o no fs i m u l a t i o n ，r e a c t i o n ( 5 ) c a nb en e g l e c t e d1 4 1 F 。rc o n v e n i e n c e t h ec o n c e n t r a l ，i o n so fc h e m i c a ls p e c i e sa r er e p r e s e n t e da s ：e l = C 0 2 1 ，c 2 = M D E A ，c 3 = M D E A H + ，e 4 = H C O ； ，c 5 = o H 一】a n dc 6 = c o I 一 T h el i q u i db u l kc o n -c e n t r a t i o ni sd e n o t e da sc ? ( o = 1 ，2 ，3 ，6 )l 、h u s ，t h ef o l l o w i n ge q u a t i o n sa r eo b t a i n e d O v e r a l lc a r b o nf f r o mC 0 2 ) b a l a n c ec ：十c ：+ c ：= Lx 【M D E A “。l( 6 )O v e r a HM D E Ab a l a n c ec ：+ c ：= 【M D E A t 。t 。l( 7 )E l e c t r o n e u t r a l i t yb a l a n c ec 3 = c ：+ c ：+ 2 c ：A l lr e a c t i o n sa r ea te q u i l i b r i u mI I e c e i v e d2 0 0 2 0 9 - 1 8 a c c 8 p t e d2 0 0 3 - 0 1 2 8T ow h o mc o r r e s p o n d e n c es h o u l db ea d d r e s s e d ，E - m a i l ：s h l y a o z j u e d uc nn 0羲2 配( 8 )( 9 )l2345 万方数据4 d 2C h i n e s eJ C h E ( V 0 1 1 1 ，N o 4 )T a b l e1M o d e lp a r a x x l e t e r sf o rM D E As y s t e mF p a r a m e t e r s 百E q j u a t 面i o n s i 万聂巧而_ _ T 面e m 二p e 磊r a r t u r er a n g e , KK R o a I e f e r e 。d L n c e i s 矿一一k 1 9 k 1 36 3 52 8 9 5 T2 7 3 3 1 3P i a s e n te ta l K 5l g K ；= 8 9 0 94 8 3 1 1 2 6 1 3 6 l +2 9 3 5 7 3O l o f f s o na n dH e p l e r 14 2 2 91 9 5 1 9 T + 9 7 3 8 4 T O0 1 2 9 6 3 87 12 +1 1 5 0 6 8 1 9 5 T 346 0 2 1 09 Y4K 2l g ( K 2 K 5 ) = 1 7 96 4 8 + o0 1 9 2 4 4 7 6 73 4 12 9 3 - - 5 2 3S i m u l a t e df r o mt h ed a t ao fl g T 7 4 9 54 4 1 TR e a d 1 2 K 3l g ( K J 5 ) = 64 9 8 一o0 2 3 8 T 一2 9 0 2 , l J2 9 3 - - 3 2 3D a n c k w e r t sa n dS h a r m a 1K 4 g ( K 4 K 5 ) = 1 4 0 11O0 1 8 T2 9 8 - - 3 3 3B e r t he ta l 【“JK 1KL = K 2 K 42 9 3 - - 3 2 32 翌里里皇里翌里里生三! ：! ! 兰坐二! 坚：! ：兰：! ：! 竺墅兰：坚! 矍= ：! ! ! ! 兰! ! ! ! ：! !旦0O ：凰( 1 0 )c 。51 1 3、。，亲：凰( 1 1 )c 2 c 2儿4r 叫T h ef i r s tt w or e a c t i o n sh a v ef i n i t er e a c t i o nr a t e s ，w h i c ha r eg i v e na sf o l l o w sR 一即心+ 瓮掣t( 1 2 )如= 一c 5 十瓦k 2c 4( 1 3 )T h et b l l o w i n ge q u a t i o n sd e s c r i b et h ed i f f u s i o n r e a c t i o np r o c e s s e sC ( ) 2b a l a n c eD 1 v 2 c 1 = R 1 + R ?( 1 4 )T o t a lc a r b o n ( f r o mC O s ) b a l a n c eDL V 2 cL + D 4 V 2 c 4 + D 6 V 2 c 6 = 0C 1 5 )T o t a lM D E Ab a l a n t eD 2 V 2 e 2 + D 3 V 2 c 3 = ：0( 1 6 )E l e c t r o n e u t r a l i t vb a l a n c eD 3 v 2 r ： 一D 4 v 2 c 4 一D 5 V 2 。5 2 D o V 2 c 6 = 0 ( 1 7 )I n s t a n t a l l U sr e a c t i o n s ( 3 ) a n d ( 4 ) u ea s s u m e dt ob ea tc q u i l i b r i m nc sK 3c 4 岛( 1 8 )L ：K 4f 1 9 1C 3 C 5T h em o d e li se x p r e s s e db yE q s ( 1 4 ) 一( 1 9 ) ，w i t ht i l ef o l l o w i n gt w ob o u n d a r yc o n d i t i o n s( 。= ：一鳄( ? 一1 2 ，- 6 ) ，a tY = Y L( 2 0 )A u g u s t ，2 0 0 3V c 。= 0 ( i = 2 ，3 ，6 ) ，c l = c ；= ； w h e ni fi sa s s u m e dt h a tt h e r ei sn oI n a S st r a n s f c rr e s i s t a n t ( 、i nt h eg a sp h a s e ) a t1 ，= 0( 2 1 )T h ee x p r e s s i o n so fs o m em o d e lp a r a i n e t e r sa r eg i y e ni I l l 阻b l e1 T h en i t r o u so x i d ea n a l o g yi n e t h o di su s e dt oe s t i m a t et h eC 0 2s o l u b i l i t y ( H I ) a n dt h ed i f f u s i x i t y( D 1 ) i nt h ea q u e o u ss o l u t i o no fM D E A T h ev i s c o s i t yo fM D E As o l u t i o nc a n b eo b t a i n e df r O I Lt l t ex v o r ko fA l G h a w a se ta l a r i dt h ed i f f u s i o nC O t 诬一c i e u t so fo t h e ri o n i cs p e c i e sa r ea s s u m e dt ob ee q u a lt o t h 越o f M D E A 【5JA tT = 3 1 8K 8 0 i n ep a r a m e t e r sf r o n lG l a s s c o c ka n dR o c h e l l e 4 Ja r eu s e dt oc o m p a r eo u rr e s t d t sw i t ht h es o l u t i o n so b t “n e db yt h ec o d eD A S S L 43N U M E R I C A LS o L U T I o N SF o RT H EM o D E L3 1S h o o t i n gm e t h o dS h o o t i n gi so n eo ft h et e c h n i q u e st h a th a v eb e e n- w i d e l yu s e df o rb o u n d a r yv a l u ep r o b l e m s 1 s W et a T lr e d u c es e c o n do r d e rd i f f e r e n t i a le q u a t i o n s ( 1 4 ) a n d( 1 5 ) t of i r s to r d e ro n e sb yi n t r o d u c i n gt h ev a r i a b l eV = 加l ，t t 2 u 3 TA n dt h ed i f f e r e n t i a le q u a t i o n s ( 【6 )a n d ( 1 7 ) c a nb et r a n s f o r m e dt oa l g e b r a i ce q u a t i ( m sw i t ht h eb o u n d a r yc o n d i t i o n s T h u s ，t h em o d e I a nb er e p r e s e n t e da sV i e t ，c 4 ，c 6 1 = VD I V V l = R x R 2D l V v l + D 4 V v 2 + D o V ”3 二= 0D 2 c 2 + D a C e = D e c 2 + D e C 2 ( 2 2 1D e e 3 一D 4 e 4 一D s c s 一2 D 6 。62、D 3 C e 。一D 4 c O D r , c o 一2 D 6 c g0 6 恐e 4 c 5 = 00 2 一 f 4 e 3 ( 5 = 0F o rg i v e nX = 旧，口，u 旷( t h ev a l u eo fVa tY = 扎) ，w ec m lg e t V V + ( t h e v a l u e o f w = 【C 1 v 2 ，M a tY 一0 ) b ys o l v i n gt h ei n i t i a l v a l u ep r o b l e m ( 2 2 ) 万方数据AN e wM e t h o dt oS o l v eF i h nM o d e lf o rC 0 2A b s o r p t i o n4 4 3S i n c eW 4i sd e p e n d e n to nXi ti sn e c e s s a r yt of i n d3 2D i f f e r e n c em e t h o do u tt h es o l u t i o nxo f E q ( 2 3 ) t om a k eE q ( 2 2 ) s a t i s f yW ed i v i d et h ei n t e r v a l 0 ，Y L b yNp a r t st od i s t h eb o u n d a r yc o n d i t i o n sE q s ( 2 0 ) a n d ( 2 1 ) c r e t i z et i l ed i f f e r e n t i a le q u a t i o n sx 叭) = = = x “) D f i X ( r l f i x ( k = 0 ，1w h e r eD f i x l “”i st h eJ a c o b im a t r i xo ff i X ( “i t se l e m e l l tc a nJ b e 印p r o x i m a t e l ye x p r e s 8 e aa sO f i x 日z ，2 f 2 4 )a n dT h e s ep r o e e d m e sa r ea c c o m p l i s h e db yu s i n gM a t l a bR 1 2g i v e ni nF i g 1 T h es o l u t i o no ft i l em o d e lb yu s i n gs h o o t i n gm e t h o di si l l u s t r a t e di nF i g 2 F i g u r e1F l o wc h a r tf o rs i n l u l a t i o nw i t hs h o o t i n gm e t h o d1 0 0 08 0 ( )r E 6 0 0=：4 0 0I )020 40608y y 、F i g u r e2C o n c e n t r a t i o np r o f i l ef o rM D E As v s t e mw i t ht h ef i l mt h e o r ys o l u t i o n( T = 2 9 8 K ：k ? ；l5 1 0 5 mS 一1 ，L = o 0 1 c i = O3 m o lm 一3 ，【M D E A 】“= 1 0 0 0 t o o l m 一3 11等哦( j 瑚，M 啪1E q u a t i o n ( 2 2 ) C a l lb et r a n s f o r m e d 抽c o r r e s p o n d +i n gd i f f e r e n c ee q u a t i o n sa tj t hp o i n t ，i ft h ed e r i w a t i v eo fC i ，Ji sr e p l a c e db yE q ( 2 6 ) ( e i ，i st h ev a l u eo f ( a tt i l ej t hp o i n t ，J = 1 ，2 ，3 ，) ，t h eb o u n d a r yC O U -d i t i o n sa r eg i v e na s2 7 1C o n s e q u e n t l y , w eh a v e9 N + 9a l g e b r a i ce q t t a t i o n s ，w h i c hc a , D _ b es o l v e db yN e w t o nm e t h o d I ? h ec o n c e n t r a t i o np r o f i l e so fs o m e ( e m i c a ls p e c i e sa l eg i v e ni nF i g3w h e nt h ei n t e r f a c i a lc o n c e n t r a t i o 】lo fC 0 2i s0 3m o lm 一3a n d3 0m o lm 一3r e s p e c t i v e l yI tc o i lb ef o u n df r o mF i g s 2e n i d3t h a tt h er e s u l t so fs h o o t i n gm e t h o da n dd i f f e r e n c em e t h o dm e e tf a M vw e l lu n d e rt h es a m ec o n d i t i o ny y lF i g u r e3C o n c e n t r a t i o np r o f i l ea tt w oi n t e r f a c i a Ic o n c e n t r a t i o n sC 0 2( T = 2 9 8 K ，衅= 1 5 1 0 5 I n S - - 1 ，L ：oe t ，弘 M 3 D 。E 耐A o 峭t a l = 1 0 0 ：0 仁m o l 赋? o l I ，。；E 3 稿。：篙警= 嚣( 詈) f 2 8 )C h i n e s eJ C h E 1 1 ( 4 ) 4 4 1 ( 2 0 0 3 )攀嘲= 墓0吣=州rN叭b仉甜堕引出一b一J J峰，Jo哪T21一吼塑皿。一一一一pmp瞄“螂J-_J【t_-_L鼍羔j笨生妒一坐一 万方数据4 4 4C h i n e s eJ C h E ( V 0 1 1 1 ，N o 4 )O t h e rc o n c e n t r a t i o np r o f i l e s ( F 瞎4 ) a r ea l s oo b t a i n e dw i t ht h ep a r a m e t e r sf r o mG l a s s c o c ke ta l F i g s 4a n d5s h o wa l le x c e l l e n ta g r e e m e n tb e t w e e nt h i sw o r ka n dt i ms o l u t i o n sg i v e nb yD A S S L F i g u r e4C o n c e n t r a t i o np r o f i l ef o rM D E As y s t e m( T = 3 1 8 K ，k = 1 4 6 1 0 5m s 一，c 8 1 = o 1 m 。1 - m ，L=o0 0 5 ， M D E A t 。= 2 0 0 0 t o o lm3 )F i g u r e5E f f e c to fC O ai n t e r f a c i a lc o n c e n t r a t i o nf o rt h eM D E As y s t e mT = 3 1 8 K L = 0 0 0 5 k ? = 14 6 1 05 ms 一1【M D E A l t o t a i = 2 0 0 0 t o o lm 一3 )t h i sw o r k ；OG I a s s c o c kecd f 训4C o N C L U S I o N S( 1 ) T h ec o n c e n t r a t i o np r o f i l e sg i v e nb yt h es h o o t i n gm e t h o da n dt h ed i 虢r e n c em e t h o da g r e ew e l lu n d e rt h es a l i l ee o n d i t i o n A n dt h ee f f e c to fi n t e r f a e i a lc o n c e n t r a t i o l lo fC 0 2o ne n h a n c e m e n tf a c t o ri st h es a m ea st h a tg i v e nb yG l a s s c o c ke Z 惮1 T h e s er e -s u i t ss h o wt h a tt h em e t h o d so fs h o o t i n ga n dd i f f e r e n c ea r ea v a i l a b l ef o rs o l v i n gt h er i g o r o u sm o d e l A n dt h e yp r o v i d ear e l i a b l ew a yt ou n d e r s t a n dt h ea b s o r p t i o no fC O ，b va q u e o u ss o l u t i o no fM D E A H o w e v e r 。f u r t h e re x p e r i m e n t sa r en e c e s s a r yt od e t e r m i n ew h e t h e rf i h nm o d e lr e p r e s e n t sr e a s o n a b l yw e l lt i l ep r o c e s so fa b s o r p t i o n ( 2 ) T l i es h o o t i n gm e t h o da n dd i f i e r e n c em e t h o db o t hl e a dt o a s e to fn o n l i n e a ra l g e b r a i ce q u a t i o n s I t i si n d i c a t e dt h a tt h ea r b i t r a r v1 n i t i a lv a l u e sh a v eag r e a te r i e c to ns t a b i l i t yo ft h e s ee q u a t i o n sw h e nN e w -t o nm e t h o di su s e d H o w e v e r w ec a nu s em o d i f i e dN e w t o nm e t h o d ，o rc h o o s eas u i t a b l ed i f f e r e n c ee q u a -t i o na n ds t e pt or e d u c et h ed e p e n d e n c eo nt h ei n i t i a lv a l u e sa ts o m ec a s e s A u g u s t ，2 0 0 3( 3 ) 凡ra nu n s t e a a y - s t a t em o d e l ( 鲁= 也丽O - c i )ad i s c r e t i z a t i o nt e c n n i q u e , s u e 鲁z 堕兰，c a nb ea p p l i e dt ot r a n s f o r mt h eu n s t e a d y s t a t em o d e li n t oas t e a d y s t a t eo l l e I nas e n s e t h et e c h n i q u e sd i s c u s s e di nt h i sp a p e rm a yr e v e a ln e wi n s i g h t si as o h d n gt i l em o d e l sb a s e do np e n e t r a t i o na n ds u r f a c er e n e w a lt h e o r i e sN o M E N C L A T U R E。c o n c e n t r a t i o no fs p e c i e s 。i nt h el i q 。叫p h t 辐e ，m o l m 一【M D E A 。lNS u p e r s c r i p t sS u b s c r i p t sc 。丑c e n t r 矗i 。n 。f s p e c i e s m 油ei i q H 心p h a s et o o ll ：n oi n t e l f a e i a lc o n c e n t r a t i o no fC 0 2 ，m o i n 一。d i f f u s i o nc o e f f i c i e n to fs p e c i e sii nt h ea q u e o u sM Is o l t im 2 - s1e n h a n c e m e n tf a c t o rI t e n r y 8l a wc o n s t a n tf o rC 0 2 P ai T l on l o 】3d i s t a n c es t e pi nt h el i q u i de q u i l i b r i u mc o n s t a n tf o rr e a c t i o nir a t ec o e f f i c i e n to fr e a c t i o nim 3m 0 11sli l l ；! 1 S St r a n s f e rc o e f f i c i e n ti nl i q u i dp h a s en 1 2S 1C 0 2l o a d i n go ft h ea q u e o u sM D E As o l u t i o n m o lm o l _ 1 ( b a * e do n M D E A d )t o t a lc o n c e n t r a t i o no fM D E At o o lm 一3n u m b e ro fp o i n t sb e t w e e ni n t e r v a l 0 ，Y L a b s o r p t i o nr a t eo fC O np e ru n i ti n t e r f a c i a Ia r e am o ln l 一2 , s - 1p a r t i a lp r e s s u r eo fC 0 2 ，P ar e a c t i o nr a t eo f r e a c t i o ni n o i 一3s1a b s o l u t et e m p e r a t u r e ，Kt i m e ，sd i s t a n tv a r i a b l ed i m e n s i o n l e s sd i s t a n c ef r o mt h ei n t e r f a c e6 r 8 t 。r d e rd i f f e r e n t i a l 。p a tr ，d -s e c 。n do r d e rd i 乳r e n t i a l0 p e r a 姚u y 孑d 2t h eg i v e np r e c i s i o ns t e po f t i m e ，sv i s c o s i t yo fM D E As o l u t i o i lP asc h e m i c a ls p e c i e sd e s i g n a t i o no f t h ep o i n ti n 【0 ，”LR E F E R E N C E S1P m r y , EH ，P i g f o r d ， tL ，“K i n e t i c so fg a s l i q u i dr e a c t i o n ss i n l u i t a n e o u sa b s o r p t i o na n dc h e m i c a lr e a c t i o n ”I n dF 1 PU h ，4 5 ( 6 ) ，1 2 4 7 1 2 5 3 ( 1 9 5 3 )2C o r i l e l i s s e ，R ，B e e n a c k e r s ，A A a M ，v a nB e c k u m ，FPH ，v a nS w a a i jWP M“N u m e r i c Mc a l c u l a t i o n o fs i m u l t a n e -o n sm a s st r a n s f e ro ft w og a s e sa c c o m p a n i e db yc o m p i e xr e v e r s i b l er e a c t i o n s ”，C h e l l lE n gS c i ，3 5f 5 1 ，1 2 4 5 】2 6 0( 1 9 8 0 )3 r s t e e g ，GF ，K u i p e r s ，J A M ，v 船B e c k u m ，FP H ，、口nS w a a i j wPM “M a s st r a n s f e rw i t he oE n p e xi e v e r s j b l eqq 仇E风艇h咤Lm风r。，【俨。，pa盯缸or 0苎= | |m9 ”眦毗乱 万方数据AN e wM e t h o dt oS o l v eF i l mM o d e lf o rC 0 2A b s o r p t i o nc h e m i c a Ir e a c t i o n s 。IS i n g l er e v e r s i h l ec h e m i c a lr e a c t i o n ”，C h e l nE n gS c i ，4 4f 1 1 ) ，2 2 9 5 - 1 3 1 0 ( 1 9 8 9J4G l a s s c o c k I ) A ，R o e h e l l e ，G T ，“N u m e r i c a ls i m u l a t i o no ft h e o r i e sf o rg a sa b s o r p t i o nw i t hc h e m i c a lr e a c t i o n ”A I C h EJ ，3 5 ( 8 ) 1 2 7 1 - - 1 2 8 l ( 1 9 8 9 15H a g e w i e s c h e ，D PA s h o u r 、S S ，A I g h a w a s ，HA ，S a n d a l l O G “A b s o r p t i o no fc a r b o nd i o x i d eI n t oa q u e o u sb l e n d so fm o n o e t h a n o l a m i n ea n dN m e t h y l d i e t h a n o l a m i n e ”c 五e mE n gS c i ，5 0 ( 7 ) ，1 0 7 1 一1 0 7 9 ( 1 9 9 5 )6R i n k e r EB A s h o u r ，SS ，S a n d a l l ，OC ，“A b s o r p t i o no fc o z h o nd i o x i d ej n t oa q u e o u sb l e n d so fd i e t h a n o l a m i n ea n dm e t h y l d i e t h a n o l a m i n e ，I n dE n gC h e mR e s ，3 9 ( 1 1 ) ，4 3 4 64 3 5 6f 2 0 0 0 )7F e t z o l d L R AD e s c r i p t i o no fD A S S ；AD i f i e r e n t i a l A i g e b r a i cS y s t e mS o l v e r ，S a n d i aR e p o r t S A N D 8 2 8 6 3 7 S a n d i an a t i o n a ll a b C a l l f o r n i af 1 9 8 2 )8n r e l l a n a ，KE ，C a m p b e l l ，S L ，P e t z o l d ，LR ，N u m e r i c a lS o l u t i o no fI n i t i a l V a l u eP r o b l e m si 1 1D i e r e n t i a lA l g e h r a i cE q u a t i o n s + N o r t h - H o l l a n d N e wY o r kf 1 9 8 9 19 J i u n - J i eK o ，M e n g H u iL i ，”K i n e t i c so fA b s o r p t i o no fC D , r b o nD i o x i d ei n t oS o l u t i o n so f 一M e t h v l d i e t h a n o l a m i n e +w a t e r ”，C h 蜘E n gS c i ，5 5f 1 9 ) ，4 1 3 9 - - - 4 1 4 7 ( 2 0 0 0 )1 0P i n s e n t ，BR W 、P e a F S O D L ，R o u g h t o n ，F JW “T h ek i n e t i c so fc o m b i n a t i o no fc a r b o nd i o x i d ew i t hh y d r o x i d ei o m ”，1 洲F a r a d a yS o c ，5 2 ( 2 ) ，1 5 1 2 一1 5 2 0 ( 1 9 5 6 11 1O l o f f s o nG H e p l e r LG “T h e r m o d y n a m i c so fi o n i z a t i o no fw a t e ro v e Fw i d er a n g e so ft e m p e r a t u r ea a dp r e s s u r e ”，JS o l u t i o nC h e m ，4 ( ? ) ，1 2 7 一1 4 3 ( 1 9 7 3 )1 2R c a d AJ ，“T h ef i r s tl o n i z a t i o nc o n s t a n to fc a r b o n i ca ( i df o r l n2 5 t o2 5 0 a n d t o2 0 0 0b a r ”JS o l u t i o nC h e m ，4( 1 ) 5 3 7 0 【1 9 7 5 11 3D m L c k w e r t s PV 、S h a r m a ，MM“T h ea b s o r p t i o no fc h r b o nd i o x i d ei n t os o l u t i o u so fa l k M i sa n da m i n e s f w i t hS O n en o t e sO i lh y d r o g e ns u l p h i d ea n dc a r b o n y ls u l p h i d e ) ”C h e mE n g l n e v r ，4 4 ( 3 ) ，2 4 4 2 8 0 ( i 9 6 6 )1 4B a r t h ，D ，T o n d r e ，C ，L a p p a i ，G ，D e l p u e c h ，jj ，“K j n e t i cs t u d yo fc a r b o nd i o x i d e r e a c t i o nw i t ht e r t i a r ya n l i l t e si na q u e o u ss o l u t i o n s ”，P h y sC h e m ，8 5 ( 2 4 ) ，3 6 6 0 3 6 6 7( 1 9 8 1 j 1 5A l G h a w a s ，t IA ，H a g e w i e s c h e DP ，G a b r i e lR uL z I b a n e z ，S a n d a l l ，OC ，”P h y s i c o c h e m i c a lp r o p e r t i e si m p o r t a n tf o rc a r b o nd i o x i d ea b s o r p t i o ni na ( 1 1 1 e o U Sm e t h y l d i e t h a n o l a m i n e 。、，J C h e mE n gD a t a ，3 4 ( t ) 3 8 53 9 1f 1 9 8 9 11 6J i a n g ，C hG ，S c i e n t i f i cC a l c u l a t i o na n dI t sI m p l e m e n t a t i o nm C L a n g u a g e U n i v e r s i t yo f S c i e n c e T e c h n o l o g y o f C h i n aP r e s s ，H e f e i ( 1 9 9 8 ) f i nC h i n e s e lC h i n e s eJ C h B i i ( 4 ) 4 4 1 ( 2 0 0 3 ) 万方数据MDEA吸收CO2稳态模型的数值求解方法MDEA吸收CO2稳态模型的数值求解方法作者：钟战铁， 李伟， 施耀， 何锋， 周明华作者单位：Department of Environmental Engineering, Zhejiang University, Hangzhou 310027,China刊名：中国化学工程学报(英文版)英文刊名：CHINESE JOURNAL OF CHEMICAL ENGINEERING年，卷(期)：2003，11(4)引用次数：1次 参考文献(16条)参考文献(16条)1.Perry R H.Pigford, R L Kinetics of gas-liquid reactions simultaneous absorption and chemicalreaction 1953(06)2.Cornelisse R.Beenackers, A A C M.van Beckum, F P H.van Swaaij, W P M Numerical calculation ofsimultaneous mass transfer of two gases accompanied by complex reversible reactions 1980(05)3.Versteeg G F.Kuipers J A M.van Beckum, F P H.van Swaaij, W P M Mass transfer with complexreversible chemical reactions-I. Single reversible chemical reaction 1989(11)4.Glasscock D A.Rochelle, G T Numerical simulation of theories for gas absorption with chemicalreaction 1989(08)5.Hagewiesche D P.Ashour, S S.Al-ghawas, H A.Sandall,O C Absorption of carbon dioxide into aqueousblends of monoethanolamine and N-methyldiethanolamine 1995(07)6.Rinker E B.Ashour, S S.Sandall, O C Absorption of carbon dioxide into aqueous blends ofdiethanolamine and methyldiethanolamine 2000(11)7.Petzold L R A Description of DASS: A Differential/Algebraic System Solver, Sandia Report, SAND82-8637 19828.Brenana K E.Campbell, S L.Petzold, L R Numerical Solution of Initial-Value Problems inDifferential Algebraic Equations 19899.Jiun-Jie Ko.Meng-Hui Li Kinetics of Absorption of Carbon Dioxide into Solutions of N-Methyldiethanolamine +water 2000(19)10.Pinsent B R W.Pearson,L.Roughton,F J W The kinetics of combination of carbon dioxide withhydroxide ions 1956(02)11.Oloffson G.Hepler L G Thermodynamics of ionization of water over wide ranges of temperature andpressure 1975(02)12.Read A J The first ionization constant of carbonic acid form 25 to 250 and to 2000 bar1975(01)13.Danckwerts P V.Sharma, M M The absorption of carbon dioxide into solutions of alkalis andamines(with some notes on hydrogen sulphide and carbonyl sulphide) 1966(03)14.Barth D.Tondre, C.Lappai, G.Delpuech, J J Kinetic study of carbon dioxide reaction with tertiaryamines in aqueous solutions 1981(24)15.Al-Ghawas H A.Hagewiesche D P.Gabriel RuizIbanez.Sandall, O C Physicochemical propertiesimportant for carbon dioxide absorption in aqueous methyldiethanolamine 1989(04)16.Jiang Ch G Scientific Calculation and Its Implementation in C Language 1998 相似文献(10条)相似文献(10条)1.外文期刊 ZHONG Zhantie.LI Wei.SHI Yao.HE Feng.ZHOU Minghua A New Method to Solve Film Model forCO_2 Absorption with Aqueous Solution of N-Methyldiethanolamine The shooting method and the difference method are used for numerical simulation of CO_2 absorption with aqueous solution ofmethyldiethanolamine (MDEA). It is demonstrated that these methods are available for the steady-state model, which may be expressedas a set of differential algebraic equations (DAEs) with two-point boundary values. This method makes it possible not only to obtainthe concentration profiles for MDEA system, but also to reveal the effect of CO_2 interfacial concentration on the enhancementfactor. With this numerical simulation, the mass transfer process with multicomponent diffusion and reactions can be betterunderstood.2.外文期刊 Hiroshi Suzuki.Tomofumi Yamanaka.Wataru Nagamoto.Takahide Sugiyama Modeling of liquidfilm along absorber cylinders in an absorption chiller A two-dimensional liquid film model of LiBr solution falling along absorber cylinders has been studied to obtain boundaryconditions for computing vapor flow in the absorber-evaporator of an absorption chiller. The model was established based on theassumptions that LiBr concentration and temperature profiles in the liquid film obey the third order polynomial expressions. It wasindicated that mass flux and absorbed heat on the liquid surface can be calculated with simple numerical computations on the presentanalytical model. The overall heat transfer coefficient and total absorbed mass per second calculated with the present liquid filmmodel was compared with experimental data for validation. The results calculated with the present model showed good agreement withthe experimental data. Then, it was concluded the present model was useful enough for determining surface conditions on the LiBrliquid film around absorber cylinders.3.外文会议 Chao-Hui Zhang.Shi-Zhu Wen.Jian-Bin Luo Lubrication Theory for Thin Film LubricationAccounting for the Ordered Film Model In this paper, the features in thin film lubrication (TFL) are investigated with the use of nematic theory accounting for theordered film. In TFL, in which dominated by the ordered molecules, the alignments of molecules can roughly be described by a unitvector, the director, and then the phenomena can be construed accordingly. The fundamental continuum flow theory is applied to thetwo-dimensional lubrication geometry. The angular distribution profile is solved from the angular momentum equation which couples theviscosity and elastic effects. Other than in nematic case, in which the Leslie coefficients are the properties of lubricant, theLeslie coefficients are determined by the combination of solid walls and the lubricants in TFL. A parameter named as viscosity-to-elasticity ratio is introduced to account for the relative effect of viscosity to elasticity.4.外文期刊 Maurizio BOTTOM Molecular Approach to Sodium Vapour Condensation, Rewetting andVaporization in LMFBR Bundle under Hypothetical Accident Conditions In the frame of safety analysis of Liquid Metal Fast Breeder Reactors (LMFBRs) under hypothetical Unprotected Loss-of-Flow (ULOF)conditions, two phase flow of sodium is simulated in a reactor core. Traditional approaches used in safety analysis codes to simulatesodium vapour condensation and vaporization rely upon application of macroscopic semi-empirical correlations for heat transfer andvapour condensation or evaporation rates. As an alternative to this macroscopic approach, we developed a microscopic methodologybased upon the application of the basic laws of the kinetic theory for the determination of the evaporation and condensation rates ofvapour in a reactor bundle. This microscopic approach is based upon a Monte Carlo simulation of the molecular trajectories, collisionrates between vapour molecules and of the molecules with the surfaces of the claddings of the pins of a reactor bundle. The pinssurfaces are treated in the Monte Carlo simulation as diffusely reflecting surfaces. Scattering of sodium particles is simulated withthe hard sphere collision model. The step splitting technique is applied, which consists in separating the collisions dynamiccalculation from collisionsless paths of the molecules. Vapour particles are assumed to condense on the surfaces of the pins when,after diffuse reflection, their velocity would be less than one third of the most probable velocity corresponding to the walltemperature. Rewetting of dried out regions of the cladding surfaces is simulated with a dynamic film model which computes thevelocity distribution of the liquid across the film thickness and then the mean liquid film velocity. Evaporation of sodium moleculesfrom the film yields a source of molecules which re-enter into the Monte Carlo calculation of the molecular dynamic approach. Thecoupling of the micro- and macroscopic models has been applied to the numerical simulation of an out-of pile sodium boilingexperiment run at the Nuclear Research Cent5.外文期刊 Feng. YH.Qu. JP.He. HZ.Jin. G.Cao. XW.Song. J Simulation of nonisothermal flow of meltduring melting process of vibration-induced polymer extruder A simplified 2D melt film model was established to simulate the nonisothermal melt flow during the melting process of thevibration-induced polymer extruder of which the screw can vibrate axially. Since polymer has time-dependent nonlinear viscoelasticcharacteristic with vibration force filed (VFF), a self-amended nonisothermal Maxwell constitutive equation that can reflect therelaxation time spectrum of polymer was adopted. Using the 2D melt film model, melt films of two kinds of thickness representingdifferent melting stages were simulated to investigate the influence tendency of the same VFF on the different melting stage. Specialflow patterns and temperature distribution of melt in the melt film between the driving wall and the solid/melt interface withvarious vibration force fields were systematically simulated. It is found out that within a certain range of vibration strength, theapplication of vibration can optimize the time-averaged shear-rate distribution, improve the utilization efficiency of energy, andpromote melting process; and the thinner the melt film is, the more intense the nonlinear viscoelastic response becomes with the sameVFF; moreover, there exists optimum vibration strength to make the melting process fastest, which is in accord with the visualizationexperimental results. (c) 2006 Wiley Periodicals, Inc.6.外文会议 Hui Ma.Hong Liang Yao.Zhao Hui Ren.Feng Wen.Bang Chun Wen NUMERICAL SIMULATION ANDEXPERIMENTAL RESEARCH ON PEDESTAL LOOSENESS OF A ROTOR SYSTEM The mechanical model of looseness of fastening bolt on the bearing pedestal is set up based on the project practice. Using thenonlinear oil-film model put forward by Adiletta, the dynamic characteristics were investigated by numerical Runge-Kutta method. Atlast, the experiment is performed to investigate the pedestal looseness by a test rig and the fault signals are analyzed by thespectrum cascade and reassigned wavelet scalogram. Numerical simulation and experiment all show that system motion state changesfrequently with the increase of the rotating speed. And the experimental results coincide with the simulation results.7.外文会议 Hui Ma.Hong Liang Yao.Zhao Hui Ren.Feng Wen.Bang Chun Wen NUMERICAL SIMULATION ANDEXPERIMENTAL RESEARCH ON PEDESTAL LOOSENESS OF A ROTOR SYSTEM The mechanical model of looseness of fastening bolt on the bearing pedestal is set up based on the project practice. Using thenonlinear oil-film model put forward by Adiletta, the dynamic characteristics were investigated by numerical Runge-Kutta method. Atlast, the experiment is performed to investigate the pedestal looseness by a test rig and the fault signals are analyzed by thespectrum cascade and reassigned wavelet scalogram. Numerica
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