MO HINH NHIET BONG LlTC HOC VA LTNG DUNG TRONG NGHIEN e t r u SLT DUNG CAC CHAT KET DINH VO CO
Nguyen Huu Nam Vien Thuy dien vd Ndng lugng tdi tgo
Tom tat: Md hinh nhiel dpng luc hoe Id cdn thiit cho viic nghiin cim vi cdc phdn img hoa hoc.
V&i ba biin sd dnh huang chu yeu nhdt Id nhiet dp. dp sudt vd thdnh phdn hda hoc, chung ta co thi du dodn neu phdn img se dien ra vd trgng thdi cudi cimg sau khi phdn img kit thuc. Cdc dinh lugl tdng qudt dieu chinh nhiit dpng luc hoc da dugc biit din tic ldu vd ldn ddu tiin duae dp dung eho hda hoc xi mdng vdo cudi thi ky 19 ciia Le Chatelier di chung minh rdng qud trinh hydrat hoa xi mdng thu duae thong qua sir hda tan ciia clinke ban ddu ddn din mdt pha nie&c ludn bdo hda ddi vai cde phdn ung hydrat hda tic do ddn din su kit liia ciia cdc pha rdn. Md hinh nhiit dpng hoc dugc phdt triin vd irng dung b&i cde nhd dia hda hoe nhdm linh todn hi phuang trinh phdn ung phue tgp ciia he da chdt thudng xdy ra trong tu nhiin co sir dung vdt lieu xi mdng nhu hdn hap vdt lieu gia cd ddt, tuang tdc bi tdng/ddt. dn mdn bi tdng, thuy hda xi mdng, xie ly chdt thdi phdng xg. Do dd edc ly thuyet co- bdn ciia md hinh nhiet dpng hgc vd ede ieng dung cua md hinh nhiet dpng se duae Irinh bdy trong bdi bdo ndy.
Tif khda: Mo hinh nhiel ddng luc hgc, xi mdng, dp bin bi Idng. thuy hda, xir ly chdt thai phdng xa. puzzolan tie nhiin
Summary: Thermodynamic modeling is essential for our understanding of chemical reactions.
With the three most important variables influencing temperature, pressure and chemical composition, we can predict if the reaction will lake place and the final stale after the reaction is over. The general laws governing thermodynamics have been known for a long time and were first applied to cement chemistry in the late 19th century by Le Chatelier to prove that cement hydration was obtained. The clinker's initial solubility leads to an always saturated water phase for the hydration reaction thus leading lo the precipitation of solid phases. Thermodynamic model was developed and applied by geochemists to calculate the system of complex reaction often occurring in nature using cementitious materials such as soil stabilization, concrete/soil interaction, concrete corrosion, cement hydration, radioactive waste disposal. Therefore the basic theories of thermodynamic modeling and its application are presented in this paper.
Keywords: Thermodynamic modeling, cementitious materials, durability of concrete, cement hydration, radioactive waste disposal, natural pouzolan.
L D A T V A N D E hgc, chiing ta cd thg du doan lieu mdt phan
\ / i ' u- u u—<. A" -I -L 1^ '" ^i---^ I, line se dien ra va trang thai cudi ciing sau khi Mo hmh nhiet dong luc hoe la can thiet cho ^ , , , ,
.•~ , i . ,- . I.- u •./•• pban irng ket Ibiic. Cac dmh luat ebung cua mo viec nghien cuu ve cae pban ung boa hoc. Voi ^ ^ , , , ^ , .f ..A , u u - T' L - . .*" ' j;.. ' ^1 • 1 1.'- 1.' hinh nhigt dong luc hoc da duoc biet den tu ba bien la nhiet do, ap suat va thanh pban hoa , • ,• ^ • ' . , , , , , lau va lan dau tien duge ap dung cho hoa hpc xi mang vao cudi tbi ky 19 bdi Le Chatelier de Ngay nhan bai: 16/10/2019 ehirng minh rSng qua trinh hydrat hda cua xi Ngay tbong qua pban bien: 26/12/2019 mang diln ra tbeo timg giai doan trong qua Ngay duyet dang: 12/02/2020
TAP CHi KHOA HOC VA CONG NGHE THUY LOI SO 58 - 2020 63
I KHOA HOC
Irinh bda tan cbnker ban d i u din den qua trinh bao hda nude ddi vod cac khoang hydrat kit tiia. Cudi cimg chiing dat d i n trang thai can bang vdi nude edn Iai cbira Irong cac 16 rong ciia vu:a xi mang. iVId binh nhiet ddng bpe duge md rdng ra de nghien ciiu cac pban irng giira cac bat dat va xi mang ciing nbu eae vat tieu CO tinh chat tuang tu nhu vdi, tro bay, xi Id cao.
Ngoai ra, md hinh nhiet ddng luc hoc ciing la mdt cdng cu hiiu ich de danb gia dp ben cua viia xi mang trong mpt mdi trucng nbat dinh.
Khi he sd can bSng ciia cac phan iing dugc kel hgp vdi phuang trinh chuygn ebat, cd thg du doan ldc dp xudng cap ciia cac vat lieu su dung xi mang va su thay doi khoang vat bgc trong viing bi suy tboai [1]. Md hinb nhiet dpng bpe da dugc iing dung trong nhieu ITnb vue:DLr doan ludi thp dp ben eiia cdng trinh ngam chiia rae thai phdng xa vdi cac luong lae xi mang/set/phdng xa [2], [3].Dp bgn ciia kgt cau vat lieu dudi ap suat cao ciia viee du Iru' kbi CO2, kbi ma dudi ap suat cao cac vat lieu bi eacbonat bda manh me bdi CO2 [4], [5]. Lan truyen chat d nhiem, du doan viing d nhidm bdi eac kim loai nang trong dat [6], [7]. Kbi thdi gian phan ii'ng trd nen qua lau de tbuc hien cac tbi nghiem dan ldi ehi phi thi nghiem md hinh vat ky tang cao, md hinb bda trd thanh phuong tien kha tbi duy nhat de udc tinh dp bgn eua vat lieu xi mang trong mpt sd irng dung rat quan trpng nhu dn dinh va hda ran chat thai phong xa, ciing nhu xii ly cae chat thai phdng xa.
Tuy nhign hien nay viee ap dung md hinh nay lai Viet Nam vao trong nghign ciru cac ITnb vuc vat lieu xay dung edn ban cbg. Do vay, trong phan dau ciia bai bao gidi thieu ve eac phuong trinh co ban cita md binh nbiet dpng luc hpc. Cac phan tiep theo trinh bay ba img dung ldn cua md hinh nbiet dpng Iuc bda hpc mpt la nghign ciru thiiy hda xi mang dudi su anh hudng ciia bam lupng da vdi, tro bay va nbiet dp, bai la iing dung ciia md binh nbiet
ddng lire bpe trong viec xu ly chattha^ _.
nban va cudi cimg la nghien ciiu ihiet k - _ phdi dat cd sir dung puzzolan t\x nhie , mang, vdi.
2. NGUYEN LY C O BAN CUA iViO H I N H N H I E T D O N G LlTC H O C
2.L Do hoat dong va luc ion
Trong mdt dung dich, {A} dp boat dgng ciia mdt chk hda tan A dupe bieu didn theo phuang trinh sau:
V A [ A ]
(A) [Ao] (1)
y^: he sd do boat ddng; [A]: ndng do chat A (mol/kg nude); [^ol^ "dng do tieu chuan bang 1 (moi/ kg nude)
Can chil y rang ndng dp moi cd the dugc bieu dign mol/kg nude, hoae moI/1 dung dich. Trong ly thuyet nhiet ddng hpc, don vj ciia ndng do moi ludn dugc bidu dien theo mol/kg nude.
Dg c6 thg xac dinh he sd do boat ddng 7^, can xac dinh lire ion ciia dung dieh, ky hieu / (mol/kg nude):
^^Xz?[A|]
(2)A'; tong so cac chat c6 trong dung dich bao gom ion hay cae phan tir boa tan
[^J; nong dp cua chat .4, (moi/ kg nuac) Zji dp am dien ciia chat A,
Co nhieu each tiep can de tmh he s6 dp boat dpng, nhung tuu chung lai cac each tilp can nay deu dupe phat tnen tir phuang trinh Debye-Huckel [92], phuong trinh nay chi ap dung cho cac dung djch loang c6 luc ion / < 0.005 (mol/kg nuoc):
log(Vi) = - ? z f l ° = (3) f: tham s6 pbu thupc nhiet dp va ap su5l, trong didu kien binb thuang Po = 1.1013 x 10= Pa va T = 25°C, f = 0.5091 kg°Vmol'«
TAP CHI KHOA HOC VA CONG NGHE THUY LOI sO 58 - 2020
^Mim
Cach tilp can cua Helgesonva nnk (1981) [92]
bay edn ggi la phuang trinh Debye-Huckel md rpng, dupe ling dung de tinb he sd dp boat dpng / < 3 mol/kg nuae cho trudng bgp nude trong Id rdng dudi dat, phuang trinh Debye- Huckel md rpng dugc vigt dudi dang:
+ 0 . 0 1 8 0 1 5 3 m * ) ^ ^ - [WjbNaCl + bfga+c|-
-0.19Gzj|-l)]l
S: tham so phu thupc nhiet dp va ap suat, trong diSu kien thong thuong, po = 1.1013 x IO'' Pa va T = 25°C, S = 0.3283 X IO"**
(8) r;=6.951218(A.J/mol)
:l.bNa- : hai tham so phu thupc nhiet dp va ap suat ttpng bang tra ciia Halgelson et nnk [8]. Trong dieu kien thong thucmg po — 1.1013 X 10= Pa va T = 2 5 ^ , bnaci = 2.47 X 10-^ (f) va b„,+,cr = - 9 . 7 7 x
2.2. Can bang nhiet dgng hgc
Su tuong tac ciia cac ion vdi cac khoang dan den su hda tan kboang eu va kdt tiia cac khoang mdi. Do bao bda 11^ ciia khoang m dugc bieu dien bdi phuong trinh dudi day:
Xj: tbam sd phu thudc tinh chat cua ion dugc j | — | ^ - i I [(y-C-)"'
mo ta bang phuang trinh sau: j=i Ddi vdi cac anion mang dien tieb am:
.2(re,, + 1 . 9 l | z | | )
(9)
Ai = - (5)
(6) Zjl + 1)
Ddi vdi cac cation mang dien tich duong:
_ 2 ( r , , i + 1 . 8 l | z | | )
'" (hl + 1)
re,j; ban kinh kba dung eua ion, dupe ghi lai trong CO sd dtr lieu nhiet ddng bgc (don vi A) I: Iuc ion theo be sd can bang dugc tinh khi khdng tinh ddn cac ion pbiie vi du CaOH^, NaC07
i = l2'f[B,] 0)
[Bj]: ndng dp chat Bi
M: sd lugng anion va cation trong dung dich (M<N)
m*: tdng sd ndng dp moi cua cac chat cd trong dung dich (mol/kg nude)
coj: he so Bora (J/mol)
- l , . . . , N p
Ksm- hS-i^g sd can bang cua kboang m; u^^: be sd can bang; YJ : be sd do boat ddng ciia chat ca ban j ; C,: ndng do chat j trong dung dich (mol/kg nude); Nc: sd lugng chat ca ban; Np: sd lugng khoang dudi can bang nhiet dpng hgc.
Trang thai can bang bay kbdng can bang cua cac khoang trong dung dich dupe md ta thdng qua cbi sd bao hda IS (Index of Saturation):
ISn,=lognn,-0 (10) Ddi vdi mdt khoang, ngu 1S=0, dung dich d
trang thai bao hda, kboang can bang khdng kgt tiia, kbdng bda tan. Ndu IS<0, dung dich d trang thai dudi bao bda, khoang ligp tuc bi bda tan. Trong trudng bgp cudi cimg, IS > 0, dung dich tren bao hda, hien tugng ket tiia khoang xay ra.
3. U N G DUING CUA IMO HINH NHIET
D Q N G L U C HOC
3.1. Nghien curu thuy boa xi mang 3.1.1. Anh hudng da vdi den thiiy hda xi mang Viee bd sung da vdi vao clinker ngay cang phd
TAP CHi KHOA HOC VA CONG NGHE THUY L O I SO 58 - 2020 65
KHOA HOC
bien vi no lam giam lupng khi thai carbpn ciia cac viec san xuat xi mang truyen tbpng. Da yoi, tbay vi tro neu de trong di6u kien tu nhien, se tham gia pban ling hydrat boa. Viec bo sung da voi vao clinker C3A hoac xi mang Portland giup on dinh kboang canxi
monocarboaluminate, C4ACH11 (monocarboatuminate) va ettringite, C6AS3H3:,
ngupc lai se lam mat 6n dinh mpnpsulphate, C4AS3H12 [9], [10]. Ngoai ra, ettringite CO ihi ket bpp tai 9% carbonate tai 25°C [16], se tang cuong han nira khii nang lap day khong gian cua chat ran. Mo hinh nhiet dong lire hgc [9], [11], [12] da giup khiing dinh nhu'ng nhan dinh nay, hinh 1 da cho thiiy su hien dien ciia da voi tao ra su on dinh cua kboang ettringite; su hien dien ctia mpt lupng nho da vol (len den xap xi 5%) lam tang tong khoi lupng chat riin ngam nuac va do do lam giam dp rong ciia vua xi miing, nhu trpng hinh 1.
kbpang giau Al. Vi trp bay chira mpt li'ong dang ki AI2O3 nhung it SO3, do do tang luong tro bay sit dung din dSn giam ettringite va tang khoang AFm (Hinh 2). Su thay d6i ham lupng kboang trong hinh 2 phii hop vol kk qua tbi nghiem thuc ti. DS tbay the tren 60% xi mang Portland bang tro bay, viec khong hinh thanh portlandite da dupe quan sat tbjy sau thoi gian hydrat hoa 1 nam va lau hem [13], [14]. Sau 1 nam va lau ban, khi mpt lupng dang ke trp bay da phan ii'ng, lupng ettrmgite bi suy giam (do ham luang AI2O3 cao va ham luong SO3 thap cua tro bay) va su gia tang s6 lupng cac khoang AFm nhu monosulfate hoae monocarbonate [11] da dupe quan sat.
Hinh 1: Hdm luong khodng thuy hda cua xi mdng Portland thay ddi theo hdm cda
luang dd vdi [12]
3.1.2. Anh huong tro bay dSn thiiy boa xi mang Portland
Tro bay bao gflm cbu yiu la SiOi, nhung cung CO thg chua dang ki luong AI2O3. Su pha trpn xi mang Portland voi tro bay din den viec giam hinh thanh kboang portlandite.Tro bay loai F theo tieu ehuin ASTM C618 chira tit 15 din 35% AI2O3, do do, viec trpn PC voi tro bay nhu vay d i n din mpt lupng lon cac
Hinh 2: Su thay ddi hdm luang khodng thuy hda xi mdng theo hdm lucmg tro bay su dung.
Ket qud ducfc tinh bdng md hinh nhiet dong luc hoc [15]
3.1.3. Anh huong nhiet dp den thuy boa xi mang ben sunfate
Mo binb nbiet dpng luc hpc cung co the dupe su dung de du dpan thanh phin khoang cua viec thiiy boa xi mang ben sunfate tai cac nhiet dp kbac nhau. Cac khoang tbiiy hoa cua xi mang bin sunfate dupe tinh trpng khoang tir 0 dgn 60°C (Hinh 3). Portlandite, C-S-H, bydrotalcite va calcite 6n dinb trong khoang nhiet dp nay, dieu nay phii hop vai cac quan sat thi nghiem. Tren 48°C, co tbg thiy monosulphate on dinh hon so vai monocarbonate va ettringite. Ty le moi
TAP CHl KHOA HOC VA CONG NGHE THUY LOI SO 58 - 2020
mm^
AI2O3/SO3 tucmg ddi thap ciia xi mang bgn sunfate, 0.95 mol/mol, dan den sir binb thanh ciia monosulphate vdi iugng sunfate edn du lai lao ra sir hinh thanh khoang ettringite. Nhirng thay ddi trong thanh phan cua cac khoang thuy hoa anb hudng ddn tdng khdi lugng eiia xi mang ngam nude (Hinh 3). Su bien mat eua ettringite, vdi trgng lugng tbap va tbg tich lon, dan den the tieh bi nhd di, Digu nay dan den tang do rdng va giam cuong do nen.
vmfWT,
mmf
anh hudng bdi cae san phdm an mdn kit tiia d giao dien tigp xiie giira hop thep carbon/bentonite va digu kien kigm cao tai giao dien benlonile-be ldng. Ngoai ra, su ldp dat set ngoai ciing eung cd tbg bi anb hudng bdi cac dp kigm cao d giao dien dat set va be tdng. Md hinh nhiet dpng luc hpc kgt bpp vdi phuang trmh truygn chat da md pbdng co che van chuyen pban irng da thanh phan khdng dang nhiet cac tuong tac dai ban (1 trieu nam) giiia bentonite duge nen ciing vdi eae san pham an mdn ciia dng thep carbon, ldp bg tdng ciia bang rao chat thai phdng xa trong mdi trudng dat set,
Hinh 3; Hdm luong cdc khodng thiiy hda ciia xi mdng ben sunfate theo hdm nhiit dp [14]
Cd thg dg dang nhan thay rang, dua vao md hinh nhiet ddng luc hpc ed the du doan dugc su Ihay ddi thanh pban khoang thiiy hda ciia xi mang theo bam lugng pbu gia cho vao nbu da vdi, tro bay bay nhiet dp mdi trudng tbuy hda.
Vdi viee du doan bam lugng kboang thiiy hda thuy hda giiip du doan kha nang cudng dp eua hdn hgp, vi du trong trudtig hpp ebo nhieu tro bay dSn d i n lupng tro bay khdng the thiiy hda tang, giam lugng khoang C-S-H mang cudng do ehu ygu ciia viia xi mang, do dd viec sii dung qua nbilu mdt lugng tro bay nhat dinh lam giam cuoTig do eua bdn hgp vat lieu.
3.2. Nghien euu do b i n be tong trong xir ly ch^t thai hat nhan
Xir ly chdt thai phdng xa trong cac kho chira dia chit sau dupe thilt kg thanh nhigu Idp bao ve nhu hop thep carbon, bentonite nen va lot bg tdng (Hinh 4). Su dn djnh va hieu suSt lam viec lau dai cua hang rao bentonite cd the bj
^ ^ Bentonite
Hinh 4: Sa dd he thing nhiiu lap bdo vi eiia kho luu trii' chdt Ihdi hgt nhdn trong ddt set [16].
Dua tren md hmh nbiet dpng lire bpe Alba Mon va nnk [17] da cbo thiy cac kich ban tbay ddi thanh phin khoang bda ciia ldp hop thep carbon, ldp bentonite, ldp be tdng va Idp dat set ngoai cimg sau 1000 nam va 1 trieu nam (Hmh 5). Dp bin cua cac ldp bao ve chit thai hat nhan cd y nghia tuyet ddi quan trgng, vi dilu nay anh hudng dgn dp an toan ciia cdng trinh, viec suy giam bieu suat cac ldp vat lieu bao ve cd t h i gay ra viec rd ri chat thai hat nhan ra mdi trudng. Do do viec ngbien cim dp b i n ciia cac Idp bao ve nay la hit siic quan trpng. Tuy nbien ed the thiy rang do bgn ciia cae ldp bao ve nay xet d tbdi gian sau hang tram nam. Viee thuc hien cac nghign ciiu tbi
TAP CH( KHOA HOC VA CONG NGHE THUY LCfl S6 58 - 2020 57
KHOA HOC
ngbiero bang mo binh vat Iy la g i n nhu khdng the. Bang md hmh nhiet ddng luc hge k i t hgp md binh truygn chit cbo kit qua la cac khoang cd linh chat co hgc ban d i u bi hda lan phong hda sau 1 trieu nam, vi du C-S-H, lam giam do ben CO hoc ciia Idp be tdng bao ve. Do vay, viec du doan dp ben cac ldp bao ve bing cdng
cu md hinh, ma md hinh nhiet :'ong '•^ • k i t bgp md binh truyin chit, la cdng cV ^y nbat dg ngbien cuu van de nay. V ^S^^
md hinh nhiet ddng luc hgc lo rat 16^^ ^rong viec du doan do bin cac cdng t->"ii^h ^^^ • ,^
bing xi mang bay cac vat lieu i^bac nhu. sa , bentonite va d&t set.
Hinh 5; Sa dd hi thdng nhieu l&p bdo vi ciia kho Imi trir chdt thai hgt nhdn trong ddt set 4. NGHIEN C l / U T H I E T K E CAP P H O I
DAT CO Siy DUNG PUZZOLAN TU NHIEN, XI MANG VA VOI
Nguygn va nnk [18] da tbanb cdng su dung md bmb nhiet ddng luc hge dg thigt kg cap phdi gia cd dat basalt. Cap phdi nay cd sir dung puzzolan tu nbidn khai thac tai Dak Ndng, vdi va xi mang. Bang vao md hinb nhiet ddng lue bpe, bam lugng kboang C-S-H va C-A-S-H cua tirng cap phdi da duge du doan cho tirng loai cap phdi. Bigt rang kboang calcium silicate C-S-H la kboang ddng gdp Idn nhat cho kha nang cudng do ciia vat lieu xi mang (cudng dp nen, cudng dp ep che...) [19]. Do dd, ca cbg cua phai trien tinh chat eo ly ciia dat gia cd phu thudc pban Ien vao ham lupng C-S- H va C-A-S-H.
Kel qua cua mo binh cbo tbay md binh nhiet ddng hgc ed the du doan tuong ddi gan diing viec phat trien cudng do ciia dat gia cd theo ham lugng puzzolan sir dung, tir dd md hinb nhiet ddng hgc cd the sir dung nhu mdt cdng cu thigt ke cap phdi ban dau nbam tim ra cap phoi tdl uu kbi sii dung puzzolan tu nhign eho dat gia ed. Viee iing dung md binh nhiel ddng lire bpe vao nghien cim thanh phan cap phdi gia cd
dat cung gan vdi nghien cim viec thiiy bda eua eae chit kit dinh ed tinh chat nhu xi mang bao gdm: puzzolan tu nhien, vdi va xi mang.
- » -CSH+CASH_iiiJ hinh so
—•—Cuong d j nen Ihi nghi(ni (Mua)
—•— CiHjng dp fp che \Vi nghifm (Mpa
ll
Hinh 6: Ham luang C-S-H, C-S-H+C-A-S-H md phong, Cucmg do nen (thi nghiem), Cuong do ep che (thi nghiem) theo khoi luang
puzzolan tu nhien sir dtrng [18]
5. K E T LUAN
Bai bao da giai thieu dupe cac nguyen ly ca ban ciia mo hinh nhiet dpng lire bpe nhu cac phuong trmh can bSng. Viec ap dung mo bmh nhiet dpng lire hpc trong cae nghien euu co lien quan dSn viec sil dung xi mang da phd biln tren thi giai. Dac biet la nghien ciiu anh huting cua cac phu gia nhu tro bay, da voi kbi tbay thS mpt phin xi mang d6n cac san p b j m khoang thiiy hoa dupe tao ra. Dieu na} ii.ip du doan duoc anh huang din cuong dp ;_,j j j p
TAP CHl KHOA HOC VA CONG NGHE; THUY LOI SO 58 - 2020
I KHOA HOC M [ Iff |'[ |;| J
pbai khi sil dung tung ham lupng cac phu gia dpng luc hpc. Do vay, mo bmb nbiet dpng luc nay. Ngoai ra anh huong cia nhiet do tir hpc hoan tpan co thi dap iing ngbien cilu qua khoang 0 dfa 60°C dfa thanh phin thiiy boa trmh thuy hoa cua xi mang hay cac vat lieu c6 cua xi miing ben sunfate cirng da dupe nghien tinh chiit xi mang nhu vpi, puzzplan tu nhien Cliu bing mn hinb nbiet dpng lue hpc. Tuong trong tk. Trong gioi ban bai bao mai cbi trinh tac giira cae lop bao ve chat thai hat nhiin: bay tong quan nb4t vi nguyen ly cua mo hmh thep/bentonite/be tong/ dat set cung da dupe nhiet dpng luc hpe do vay chn c6 nhtrng trinh nghien ciiu bang viec su dung mo hinh nhiet bay chi tilt ban trong cac bai bao tilp theo.TAI LIEU THAM KHAO
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