BATCH REACT (Bnh phn ng gin on) I.

Gii thiu:

M hnh phn ng gin on l mt trong nhng vn quan trng, v vn hot ng n nh m hnh ha v ti u ha, iu khin phn ng. Mc d phn ln trong cc m hnh sn xut quy m ln thng s dng bnh phn ng lin tc, tuy nhin bnh phn ng gin on vn c s dng vi dung lng nh hn trong vi ngnh sn xut ha cht, dc phm, x l sinh hc (SBR) hoc trong phng th nghim. L do l thit b ny tng i n gin, ch cn t thit b ph tr v l loi thit b thch hp thu oc cc s liu ng hc v cc phn ng ng th. c bit i vi cc loi phn ng c hng s tc thp, vic s dng batch reactor l mt u im so vi bnh phn ng lin tc. Ngoi ra, vic s dng rng ri my tnh vo vic iu khin phn ng t ng ha v ti u ha m hnh nng cao nng sut v gim s lng lao ng i hi.
N c thit k cho cc nh ha hc, k thut vin v k s qu trnh, nhng ngi cn mt cng c mnh m v ng tin cy gim chi ph sn xut, p ng cc quy nh mi trng v an ton, tit kim thi gian trong giai on lp quy m v gim thi gian sn xut sn phm mi.

1 cu to

Hnh 3.9: BATCH REACTOR

Nh hnh m t, ha cht c a vo bnh phn ng np v sn phm ra y. Hi nc c dn vo v bnh cung cp nhit cn thit cho phn ng. Sau , nc lnh bt buc a vo v bnh gii nhit, m bo nhit bnh phn ng xy ra theo ng cong nhit _thi gian quyt nh. S thay i nhit c b iu khin bi b cm ng nhit v h thng phun, cun dy. B cm ng nhit iu khin nhit v tr seat point, gi tr ny thay i theo thi gian. Ch khi l phn ng c lm nng bng hi nc, Tj ln hn Tm v Tm ln hn T. Khi lm mt bng nc, s chnh lch nhit c cc du hiu ngc li.nn nh rng h s ho ca lp mng bn ngoi thng c ngha khc nhau cho hi nc ngng v dng nc lm mt. Vic chuyn i t cp nhit sang lm mt l mt vic kh phc tp,c bit nu c gng tng nhit T cng nhanh th cng tt nhng khng cho php tng qu nhanh(vt gii hn). mt h thng thng c s dng hnh 3.9. B iu khin nhit gi cc van hi nc (Vl) m v van nc lm mt (V-2) ng trong sut qu trnh chuyn i

nhit ( heat_up). iu ny c thc hin bng cch s dng split-ranged van, tho lun sau ny trong Phn III. Cng trong qu trnh chuyn i nhit(heat_up), cc van thot nc lm mt (V-3) gi kn v van nc ngng (V4) c gi m. Khi c yu cu lm lnh, b iu khin nhit ng van hi nc v m cc van nc lm mt ch lm cho nhit l phn ng theo cc im nhit t. V_3phi c m v V_4 phi c ng bt c khi no nc lm mt c thm vo. Ngha l:

M hnh thit b phn ng gin on linh hot v cu hnh chi tit (bao gm c thit b si m hoc lm mt v ngng t c thm vo khi c yu cu), iu d dc chng minh hiu qu bng pp s m hnh ha- ti u ha li qu trnh hot ng ca tbi pu gin on da trn cc phng trnh cn bng nng lng, cn bng vt cht, cn bng pha, v phng trnh quan h gia thi gian v cc thng s bin i chnh nh: nhit , nng , lng c c, cht lng v s lng sp M t chi tit qu trnh lp t. trong thit b BatchReactor, ngi sd c th thit k cu hnh cc l phn ng v kt hp cc thit b ca mnh (trao i, bnh ngng) mt cch chi tit.Nhiu loi thit b (bnh cha, thit b pha trn, h thng cch ly, cung cp nhit) c sn v cho php m t gn nh tt c cc h thng hoc lp t th cc chi tit thit b khc nhau thc hin h thng theo yu cu. Mi phn ca thit b c kt hp vi mt tp hp cc thong s hoat ng dc xc nh chnh xc.

H thng ngng t c th c m t, vi c bit l cu to ca n, i din cho mt hoc hai giai on ngng t, chn t l hi lu hoc a vo b nh h thng kim sot p lc.

2. nhit ng lc hc:

nhit ng lc hc Wa vic thi nghim trn tbi BatchReactor, ta tnh ton c tnh l ho ca cc hn hp (cn bng lng-hi hoc cn bng lng- lng), lu tnh ( nht, nhit nng chy, dn nhit ...)) i vi thi gian v s thay di tnh cht ca hn hp t tnh cht of cc cu t tink khit. i vi iu ny, BatchReactor da vo: Mt c s d liu thuc tnh 1 700 cu t, da trn ca DIPPR AIChE c s d liu dc lm giu t cc d n nghin cu ca cc chuyn gia nhit ng hc ca ProSim. A, trong cn c sn mt c s d liu t nhn lu tr cc thuc tnh thnh phn c th. Mt b y gm cc m hnh ng hc phn ng (phn ng tc thi, phn ng cn bng, iu khin ng hc phn ng (Arrhenius php lut ...), cc phn ng phc tp (Langmuir Hinshelwood ...)). Numerous robust and reliable thermodynamic models: equations of state (Soave-RedlichKwong, Peng-Robinson, Lee-Kesler-Plcker, BWRS, etc.), activity coefficient models (NRTL, UNIQUAC, UNIFAC, Wilson, etc.), combined models ((MHV2, PSRK, Engels, etc.)... mt s phng trnh v h s dc s rng riv ng tin cy khi xy dng m hnh

nhit ng lc hc: phng trnh trng thi (Soave-Redlich-Kwong, Peng-Robinson, LeeKesler-Plcker, BWRS, vv), h s m hnh hot ng (NRTL, UNIQUAC, UNIFAC, Wilson, vv), kt hp m hnh ((MHV2, PSRK, Engels, vv) ... Xc nh cc thng s ng hc BatchReactor l mt cng c nhn dng hu ch ng lc hc c c cc thng s ng hc (ch , nng lng kch hot, tn s ...) v / hoc nhit phn ng ca m hnh mt t my o nhit lng hoc thu nhp d liu thc nghim (lin kt n cc my o tu ng nhit lng). Th nghim c th c ng nhit hay khng v c th bao gmhao ph ca qu trnh p. M hnh ny cho php ngi dng la chn mt chng trnh phn ng thc t (thun nghch, ko thun nghch, ni tip...), rt ngn cctrnh t th nghim, c c tc phn ng v phn tch tin cy ca m hnh ng hc nh vo khong tin cy c cung cp bi cc thng s xc nh. trng thi hoat ng v iu kin miu t hot ng Just like on an industrial unit, the manufacturing recipe or operating scenarios can be described with successive steps, chained by automatic event detection. Cng ging nh trn mt n v cng nghip, cc cng thc sn xut, cc trng thi hot ng c th c m t vi cc giai on k tip, chuigiai on bng cch pht hin thng s t ng. i vi mi giai on, n c th xc nh iu kin hot ng khc nhau (ng nhit, on nhit, bn hng lot ch ) v cc thng s hot ng c th. Thng thng, cc trng thi ta t ra cho php phn tch su v tc ng ca mt vi sa i v: ngun cp d liu v dng ph (m, ng ca, lu lng bin i ...) c im ca cht lng (nhit , lu lng ...) thng s h thng khuy (hnh dng, tc vng quay ...) Dng hi lu p sut cho php (c nh, tnh ton ...) t ng kt hp vi cc iu kin c la chn bi ngi s dng: thi gian hot ng, nhit , p sut, nng trong l phn ng, sn xut s lng, vv Phng php s mnh m v hiu qu Nh vic s dng cc phng php s - hiu qu v nhanh chng, BatchReactor c bit hu ch i vi trng hp phc tp: hn hp rt khng l tng, quy trnh bt lin tc (khuy gin on, ng hay m van...). tt c cc bin thay i theo thi gian trong qu trnh c tnh ton: thnh phn tp trung, nhit , p lc, phn ng nhit, s lng v thnh phn c c, sn lng sn xut v thnh phn ... Vo cui m phng, cc kt qu c cung cp nh dng ha (qu trnh bin i ca cc tham s chnh) hoc vn bn (m phng bo co, kt qu s ...).

II.

Cc phng php tnh ton thit b:

Vic xc nh phng trnh tc phn ng thng thng l mt quy trnh bao gm hai bc. bc th nht, s ph thuc ca tc phn ng vo nng c xc nh mt nhit c nh, sau bc th hai l xc nh s ph thuc ca tc phn ng vo nhit v lp ra mt phng trnh tc hon chnh. Tt c nhng iu cn phi xc nh ch l trng thi ca phn ng cc thi im khc nhau. Mt thit b phn ng gin on thng thng c vn hnh ng nhit v ng tch thun tin cho vic x l cc s liu thc nghim thu c. Qu trnh xy ra phn ng thit b gin on c th c quan st theo mt trong cc cch sau y: 1) Theo di nng ca cu t tham gia phn ng. 2) Theo di s thay i ca mt tnh cht vt l no ca h thng phn ng nh dn in hay chit sut. 3) Theo di s thay i v p sut ca h thng phn ng tin hnh iu kin ng tch. 4) Theo di s thay i v th tch ca h thng phn ng tin hnh iu kin ng p. C hai quy trnh phn tch cc s liu ng hc thu c t thc nghim, l cc quy trnh tch phn v vi phn. Theo phng php tch phn, chng ta la chn m hnh ng hc vi phng trnh tc tng ng, sau nhng php tch phn v bin i ton hc thch hp c th d bo rng th biu din s ph thuc ca C v t mt h ta xy thch hp c dng mt ng thng. Cc s liu c th hin bng th, v nu nh nhn c mt ng thng th c th ni rng c ch l ph hp vi cc s liu thc nghim thu c. Theo phng php vi phn, ngi ta la chn mt m hnh ng hc v ghp hp n vi cc s liu thc nghim mt cch trc tip. Tuy nhin v phng trnh biu din tc phn ng l mt phng trnh vi phn nn trc tin chng ta phi xc nh (1/V).(dN/dt) t cc s liu thc nghim trc khi quy trnh ghp hp c tin hnh.

Mi phng php (vi phn v tch phn) u c nhng u nhc im ring. Phng php tch phn d dng cho vic s dng v c dng khi kim tra cc c ch phn ng, khi ghp hp vi cc c ch tng i n gin, hoc khi cc s liu thc nghim phn tn n mc khng th xc nh mt cch ng tin cy nhng thng s cn thit khi s dng phng php vi phn. Phng php vi phn c th hu ch hn trong nhng tnh hung phc tp hn, nhng li i hi mt s lng cc s liu thc nghim chnh xc v ln hn nhiu. Phng php tch phn i hi chng ta phi gi thit v c ch phn ng, iu ny l khng cn thit i vi phng php vi phn, phng php ny c th c s dng xc nh (theo kinh nghim) phng trnh tc phn ng ph hp tt nht vi cc s liu thc nghim thu c. Phng php tch phn lun lun kim tra mt phng trnh tc c th bng cch ly tch phn v so snh s ph thuc ca nng C vo t thc nghim. Phng trnh tc c a ra theo c ch hay m hnh gi thit. Nu s ghp hp trn khng tha mn th c ch b loi b v mt c ch khc c a ra kim chng. Khc vi phng php vi phn, phng php tch phn khng thch hp cho vic tm ra cc phng trnh kinh nghim m chng ph hp tt nht vi cc s liu thc nghim Phn ng ni tip bc 1: Xt phn ng bc 1: vi B l sn phm ta mong mun

+Nu phn ng xy ra lu lm BC th sn lng thp +Nu dng phn ng sm th s chuyn ha AB cha sn lng thp =>Cn thi gian ti u v khi t n thi gian ny ta phi dng phn ng nhanh nht. Cch thng s dng dng phn ng l lm lnh bnh phn ng. S lc v thay i nhit ti u.Nu s ph thuc nhit ca hng s tc phn ng c trng k1 v k2 l nh nhau (nu nng lng kch hot l nh nhau). Phn ng s c din ra nhit cao nht cho ti khi kt thc. Nhit ti a ny c gii hn bi mt s yu t: nhit lm vic ti a hay p sut ca

thit b,hn na s hao ph ngoi mun hay sn phm b polymer ha hoc cht phn ng nhit qu cao,v... Nu s ph thuc vo nhit ca k1 ln hn k2, ta li mong mun phn ng xy ra nhit cao nht c th thu c B.Trong c hai trng hp chng ta phi chc chn chng phn ng ng thi im c th thu c nhiu B. Nu s ph thuc v nhit ca k1 nh hn k2, to iu kin nhit ti u l bt u phn ng ti 1 nhit cao phn ng u tin din ra nhng sau gim chm ngn cn vic mt qu nhiu B. Hnh 3.10 biu din ng nt t l 1 vd v nhit thc t c th din ra trong 1 phn ng trong thc t. Phn ln phn ng c lm nng n nhit Tmax. Ta s s dng bin i nhit ti u nh 1 im mc.

1.

Tnh ton theo phong php vi phn:

Vi mt nn tng, by gi cho php chng ta suy ra c mt m hnh ton hc cho qu trnh. Chng ta s gi nh(mt , khi lng ring,t trng) ca cht lng phn ng l khng i. Tng s phng trnh lin tc cho khi lng phn ng, sau khi cc cht phn ng c tnh v cc chu k hng lot bt u l: (1.1 ) Khng c lu lng vo v khng c lu lng ra. Khi ta xem l hng s th dV/dt =0. Do th tch ca cht lng trong l phn ng l khng i.

Phng trnh lin tc cho cu t A (1.2) Phng trnh lin tc chi cu t B (1.3) Phng trnh ng hc (1.4) S dng mt m hnh chung cho cc l phn ng tng kim loi v cc phn ng n gin c entapy h= Cp T Phng trnh nng lng cho cc phn ng cht lng v metal wall l Phng trnh nng lng cho qu trnh (1.5) Phng trnh nng lng cho metal wall

(1.6) y (1) v (2) l nhit nng chy ca hai phn ng.

2.

Tnh ton theo phng php tch phn: vi B l sn phm ta mong mun

Xt phn ng bc 1:

Phng trnh tc cho 3 cu t A, Bv C l: dCA/dt = -k1CA dCB/dt = k1CA - k2CB dCC/dt=k2CB (2.1) (2.2) (2.3)

Gi s lc u CB0 =CC0 =0,ly tch phn phng trnh (2.1) ta c: -ln (CA/CA0) = k1t hay Thay gi tr ny vo phng trnh (2.2) ta nhn c: (2.5) T : (2.4)

(2.6) Ch rng i vi h ng tch ti bt c thi im no ta cng c: CA0 = CA + CB + CC V do t cc phng trnh (2.4) v (2.5) ta nhn c: (2.7) Nu k2 ln hn nhiu so vi k1, t phng trnh (2.7) ta c:

hay ni cch khc, tc phn ng c xc nh bi k1 hay bi bc th nht ca phn ng. Nu k1 ln hn nhiu so vi k2 th:

hay tc phn ng c quyt nh bi k2 hay bc th hai. Cc gi tr k1 v k2 cng xc nh nng cc i ca B. Thi im m CB t cc i c xc nh t phng trnh (2.6) v c dng: (2.8) V:

(2.9)

t 3. Hiu ng nhit:
a.

PHA CP NHIT: Trong sut qu trnh t nng, c th cn mt phng trnh lin tc tng cng v mt phng trnh cn bng nng lng cho hi nc, thm mt phng trnh trng thi cho hi nc. Phng trnh lin tc tng cng:

(1.8) Vi: = mt ca hi nc trong v = th tch ca v = mt hi nc vo = t l ngng t hi (khi lng/ thi gian) Gi thit rng nc ngng lp tc c ht ht vo thit b thu hi hi. Phng trnh cn bng nng lng cho hi nc:

(1.9)

Vi:

= nng lng vo ca hi trong v

= enthalpy ca hi vo = enthalpy ca nc ngng Nng lng u vo thay i (nh hng nhit ng) thng c b qua khi so snh vi nh hng ca n nhit. V vy phng trnh nng lng trng thi dng c th s dng:

(1.10) Phng trnh trng thi hi nc (hoc bng hi nc) c s dng tnh nhit v p sut t mt . V d, nu nh lut kh l tng v mt phng trnh p sut

(1.11) Vi M = khi lng phn t ca hi nc = 18 Aw v Bw = h s p sut hi ca nc Phng trnh (1.11) c th c gii (lp li) tm phng trnh (1.8)]. nu bit [t

Mt khi bit , c th c tnh t phng trnh p sut hi. Gi tr rt cn thit tnh tc chy ca hi qua van nhp liu v tc chy ph thuc vo p sut p ln van (tr khi dng chy qua van ti hn). Nu khi kim loi xung quanh v l ng k, cn phi tm mt phng trnh nng lng. Chng ta gi s rng n khng ng k. Trong hu ht v bnh phn ng hoc ni hi cp nhit bng hi th th tch hi b chim ch kh nh so vi lu lng th tch ca hi. Do p ng ng hc ca v rt nhanh, v cn bng vt cht v nng lng thng c dng. Lu lng hi c thit t bng vi lu lng nc ngng, lu lng ny c tnh bng cch gii lp li quan h chuyn i nhit (Q = UAAT) v phng trnh lu lng qua van cho p sut v v lu lng nc ngng.

b.

PHA LM NGUI: Trong giai on nc lnh chy qua v, ch i hi mt phng trnh nng lng cho v nu ta gi s v hon ton c pha trn. (1.12) Vi: TJ = nhit nc lnh trong v = mt nc CJ = nhit dung ring ca nc TJ0 = nhit nc lnh u vo

Kim tra bc t do ca h thng sut giai on t nng,chng ta c 7 bin (C, CB, T, TM, TJ, v Wc) v 7 phng trnh [(1.2), (1.3), (1.5), (1.6), (1.8), (1.10) v (1.11)]. Sut giai on lm ngui, ta dng phng trnh (3.71) thay v (1.8), (1.10) v (1.11), nhng chng ta c duy nht TJ thay v TJ, v Wc.