
kirkwood-buff parihara sidhaantham

joonn jii kaaranam kirkwood-buff (kebi) parihara sidhaantham. kirkwood frank pii. buff, microscopic (bulk) gunangale microscopic (molecular) vishadaamshangalumaayi bandhippikkunnu. stattistikkal mechanics upayogichu, kebi sidhaantham oru multy-komponant solyooshanile ellah thanmaathrakalum thammilulla jody paraspara bandha pravarthanangalil ninnu thermodynamic alavukal uruthirinjirikkunnu. molecular simuleshanukalude moolyanirnnayathinum vividha bhauthika prakriyakalkku adisthaanamaaya samvidaanangalude molecular resolution vishadeekaranathinum kebi sidhaantham oru moolyavathaaya upakaranamaanennu theliyikkunnu. udaaharanathinu, jaivashaasthraparamaayi prasakthamaaya samvidaanangalil ithinu niravadhi prayogangalundu.
vipareeta prakriya saadhyamaan; arih benn-naam kaaranam reverse kirkwood-buff (reverse-kebi) sidhaantham ennu vilikkappedunna thermodynamic (bulk) alavukalil ninnu tanmatra vishadaamshangal uruthirinjirikkunnu. eee purogathi macroscopic vivarangalude adisthaanathil microscopic gunangalekkurichulla pravachanangal roopappeduthaan kebi aupachaarikathayude upayogathe anuvadikkunnu.
radial vitharana pravartthanam.
jody vitharana pravartthanam allengil jody paraspara bandha pravartthanam ennum vilikkappedunna radial vitharana pravartthanam (aarr. dii. eph) oru mishrithatthile praadeshika gadanayude alavaanu. formula 3, formula 4 ennivayil yathaakramam sthaapichirikkunna gadakangalude formula 1, formula 2 enniva thammilulla rdf ingane nirvachikkappedunnu
ghadaka soothravaakyam _ 1-maayi thaarathamyappeduthumbol ghadaka soothravaakyam _ 2-nte praadeshika saandrathayaanu soothravaakyam _ 6, balkkile ghadaka soothravaakyam _ 2-nte saandrathayaanu alavu soothravaakyam _ 9, soothravaakyam _ 11 inter-particle radius vektaraanu. nirbandhamaayum, ithu inipparayunna kaaryangalum pinthudarunnu
golaakrithiyilulla samamiti anumaanikkumbol, aarr. dii. eph kuraykkunnathu
ivide formula _ 14 ennathu kanangalude edayilulla dooramaanu.
chila sandarbhangalil, swatantra oorjjathinte kaaryatthil paraspara tanmatra parasparabandhangal alakkunnathu upayogapradamaanu. prathyekichum, aarr. dii. eph rund gadakangalkkidayilulla sharashari shakthiyude (pii. emm. eph) pottanshyalumaayi bandhappettirikkunnu
ivide pii. emm. eph adisthaanaparamaayi laayaniyile rund gadakangal thammilulla phalapradamaaya edapedalukalude alavukolaanu.
kirkwood-buff integralukal.
gadakangalude formula _ 1 num formula _ 2 num edayilulla kirkwood-buff integral (keey. bii. aii) jody paraspara bandha pravartthanatthinte speshyal integral aayi nirvachikkappedunnu
golaakrithiyilulla samamithiyude kaaryatthil ithu kuraykkunnu
formula _ 19
oru thanmaathrayude vooliyam yoonittukalulla keey. bii. aii, kanika soothravaakyathinu chuttumulla kanika soothravaakyathinte adhika (allengil kuravu) alakkunnu.
thermodynamic alavukalude vyulppannam.
rund gadakangalulla samvidaanam.
prasakthamaaya keey. bii. aii. (soothravaakyam _ 22, soothravaakyam _ 23, soothravaakyam _ 24) ennivayude adisthaanathil rund gadakangalude mishrithathinu vividha thermodynamic bandhangal nedaan kazhiyum.
ghadakam 1-nte bhagika mollar vooliyam ithaanu
ivide soothravaakyam _ 26 mollar saandrathayum swaabhaavika soothravaakyam _ 27 umm aanu.
compressibility, formula _ 28, thripthippeduthunnu
ivide formula _ 30 ennathu boltsman sthiraankavum formula _ 31 ennathu thaapanilayumaan.
ghadakam 2-nte saandrathayumaayi bandhappett ausmotic marddatthinte derivative, formula _ 32:
ivide formula _ 34 ennathu ghadakam 1-nte raasa pottanshyalaanu.
sthiramaaya thapanilayilum (formula _ 31) marddathilum (formula _ 36) saandrathayumaayi bandhappett raasa pottanshyalukalude derivateevukal ivayaanu
allengil pakaramaayi, moll bhinnasamkhyayumaayi bandhapetta
munganana paraspara bandha gunakam.
mattoru tanmatra speesheesumaayi layikkunnathinulla (edapedal) oru tanmatra speesheesukalude aapekshika munganana munganana prathipravartthana gunakam, formula _ 40 upayogichu alakkunnu. layakam (vellam), layikkal, cosolute enniva adangiya oru pariharam namukk pariganikkaam. draavakavumaayulla jalathinte aapekshika (phalapradamaaya) prathipravartthanam munganana jalamsha gunakamaaya formula _ 41-maayi bandhappettirikkunnu, ithu draavakam "mungananayode jalaamshamullathaanenkil" positteev aanu. kirkwood-buff sidhaanthathinte frame-varkkilum cosoluteukalude kuranja saandrathayil, munganana jalamsham ithaanu
ivide formula _ 43 ennathu jalathinte molarityum, yathaakramam vellam, solute, cosolute ennivayumaayi poruthappedunna dablyu, ezz, sii enniva.
ettavum pothuvaaya saahacharyathil, laayakavum cosolute ulla keey. bii. aii. yude pravarthanamaanu munganana jalamsham. ennirunnaalum, valare lalithamaaya anumanangalkkum pala praayogika udaaharanagalkkum keezhil, ithu kuraykkunnu
athinaal prasakthiyude eaka pravartthanam formula _ 45 aanu.

