[硕士论文精品]吸附聚乙烯链的构象及其力学行为研究

G9213G5042G3835G4410G11817G3775G4410G1313G16782G7003I吸附聚乙烯链的构象及其力学行为研究摘要采用拉伸分子动力学方法（STEEREDMOLECULARDYNAMICS）和蒙特卡洛方法MONTECARLO相结合，研究了吸附在表面附近的聚乙烯单链的构象及其力学行为。本工作大体上可以分为两个方面一个方面，研究了链被吸附在一个表面的情况，首先用一个理想弹簧垂直拉伸一个强吸附表面上的聚乙烯单链的一端。在拉伸剥离的过程中，研究了链的构象特征，像均方末端距210/PSREMARKABLY,THEPECHAINMANIFESTSFORCEHYSTERESISUNDERSEQUENTIALSTRETCHINGANDRELEASINGASTHECHAINSAREPULLEDASLANTFROMONEEND,THEREAREALWAYSLINEARRELATIONSHIPSFORAVERAGEFORCEPROBEDBYTHEIDEALSPRINGVSDECLININGANGLEINTHERANGEOFO20FURTHERMORE,THESLOPEOFTHISLINEINCREASESWITHTHEPULLINGVELOCITYHOWEVER,INTHERANGEOF，G4613G6310G13489G9228G2172G2052TRYX这G9869，G1185G11053在NXG9869的G1313G13634不G2476。G708G26G709G17832G3250步G20600G7081G709，G18337新开G3999对G9228G2172G20521NXG9869的G1867G1319G1313G13634的又一G8437G16809G6518。METROPOLIS方法可以G11464G6521得G2052符合G10639G4584G1869G7376G2010布的样本，因此极大地提G20652了采样G6940G10587，G5194G1000所得G2052的样本是G7380可G1972的，G5194G1000G2494要G13475过G6980学平G3355G4613可以得G2052热力学平衡G1319系G991的统计平G3355G1552。目前这种方法G5203G8879的G5224用G2052各种G11752G12362平衡G5589G1319系G5627质的模拟G1025。G99G21G17G22G17G21G20652G2010G4388G1025G5132G11004G11352G14957G10317G2357G8943G7053G8873G7081G709格子模型格子模型的基本G1582法是将G12366问G12175G6967G2282G726G20652G2010子G19154G990的成键原子的G1313G13634G2494能取G12366间G1025G10317定的格G9869。G4625G12661格子G19154在细G14422G990与G11507G4466G19154有G17751大的差G2047，G1306G11752G12362证G4466G6239，G230G64，G20652G2010子G19154的G16780G3822统计G5627质G5194不G1393G17194于G19154模型的细G14422。格子模型可以按格G9869的G5627质G2010为两类。一类是所有的格G9869G1867有G11468G2528的G5627质，这G1135格G9869G15999G2356G6466的机G10587是G11468G2528的，如二维状G5589G991的G1857边形模型，方格子模型，三角形模型以G2462三维状G5589G991的G18341G2030G11719模型，G12628G12447方模型，G1319G5527G12447方模型，面G5527G12447方模型G12573。另一类则是不G2528G11G11468对G12G1313G13634的格G9869G1867有不G2528的G5627质，G2494有G9397足一定条件的格G9869才能G15999原子G2356G6466，如MANHATTAN格子模型是其G1025G5224用G17751G3822的一种。在G6117G1216小组的工作G1025，G6117G1216基本G990采用的是G12628G12447方的格G9869模型。G2375所有的格G9869G1867有G11468G2528的G5627质，G5194G1000G1313于G12447方G1319的G1855个G20042G9869G990。G7082G709普通无规G15904G17220和自G18003无规G15904G17220模型G20652G2010子G19154在不G2528的G10627G3671G1025不G1825和其G1194一G1135G20652G2010子G6521触，这G1135G2010子或G13785是G2528类的G708如G7422G12244释的非G7242G5589G20652G2010子G1025G709，也G16780是G9354G2070G708如G12244G9354G9094G1025G709。G1306是一般G16760为在G10317定G1319系G1025，如G20652G2010子G10088G1319，无定形本G1319和G9354G9094G1025，G7592G5627G20652G2010子G19154G3800于一种无G6212状G5589，G2375可以将G20652G2010子G11487G1582一个G4408G12447G1319系整G1319加以G3800理G6236G64。此G7114，在G11752G12362G1025可以采用普通无规G15904G17220模型G11NORMALRANDOMWALK，G12628称NRWG12G7481模拟。NRW是G9213G5042G3835G4410G11817G3775G4410G1313G16782G700317一种G11468G5415G12628G2282的模型，原子在排G1849格G9869G7114不G13783G15397“排G19512G1319G12227”G6940G5224，有G7114也G15999称为自G11468交无规G15904G17220问题。所G16871“排G19512G1319G12227”G6940G5224G6236，3G26G64是指由于形成G19283G19154的原子在G12366间G1025G2356有一定G1319G12227，一个原子己G2356G6466的G12366间不能G2528G7114G4493G13447另一个原子。这一问题G15999G6980学家称为自G3250G18003无规G15904G17220G11G11SELFAVOIDINGWALK,G12628称SAWG12。很显然，在一般状G5589G991，G20652G2010子G19154都G5224G3800于这种自G3250G18003无规G15904G17220状G5589。SAW模型的G5224用G7380G7101G5194不在G20652G2010子领域，G13792是在G11752G12362G19093G11925G11468G2476的ISING模型G1025。G15441然SAW仅G8616NRWG19480加一个“排G19512G1319G12227”G6940G5224，G1306是这个G12628G2345的G19492制G2376G1363G4439G2476成了一个复杂的G6980学问题。G16780G3822理论科学家G16809图用各种方法加以G11752G12362，G1306是一G11464G7422能用G16311G7524方法得G2052其精确G16311。G7097前，采用G8616G17751G3822的计算机模拟是精确计G6980和G14957G10317G2357G8943两种方法G7481进G15904G11752G12362。G7083G709基于PG40RM的G14957G10317G2357G8943方法在G99G21G17G22G17G20小G14422G1183G13473的G14957G10317G2357G8943方法G1025，每一个G19283为N1的G1025间G7512形生成所有可能的G19283为N的G1025间G7512形，这样导G14280了在整个指G6980规模的G16311G12366间G1881G6640G13046G7380G1260G16311。为了G18003G1825这种G15554力G6640G13046，PRUNEDG40NRIG70HEDROG86ENG69LUTHMETHODG708PERMG709算法提出在一个G19283为N1的G1025间G7512形生G19283G13333G8554为G19283为N的G1025间G7512形的过程G1025进G15904一定的G1260G2282选择，以追求G7114间与精度之间G17810G2052G7380G3921的G7447衡。这G18336所G16871的“G1260G2282选择”G4613是通过G2110G19512一G1135低G7447G18337G2010支和细G2282一G1135G20652G7447G18337G2010支为主要G6175G8585G7481提G20652计算G6940G10587的。G5415一个G2010支的G7447G18337小于G991G19412G19492G7114，PG40RM算法G16760为G16825G2010支对整个计算G13479G7536G5445G2721太小，程序G4613G2110G19512这一G2010支以减少运算量。G2528样的，G5415一个G2010支的G7447G18337大于G990G19412G19492G7114，PG40RM算法G16760为G16825G2010支对整个计算G13479G7536G5445G2721G8616G17751大，程序G4613详细G2010G7524这一G2010支以提G20652精度。G7101在1996年，PETERGRASSBERGERG4613提出了PERM算法G62G231G64。199G26年，HELGEFRANENKRON与PETERGRASSBERGERG12573G1166用G16825方法G7481求G16311G15519G11345质折G2484G7512形G20056测问题G62G232G64，得G2052了G17751G3921的G13479G7536。G2530G7481，G43G86IAOG713PINGG43G86UG12573G1166将G16825算法进G15904了进一步的改进G62G233G64，在这个问题的求G16311G1025得G2052了非G5132G3921的G13479G7536。如今，PG40RM算法已G13475是G20652G2010子领域G17751为G5132用的一种加速算法之一。PG40RM算法G1867G1319过程如G991G726G6117G1216G13783G15397有G7588个从N1个G2345G1319的G19283度成G19283为N1的G2345G1319的G19283度G1025间G7512形。G1208G78表示G16825G7512形的自由度。如G7536G78G320，则说明G16825G1025间G7512形不能G13499G13505生G19283，G2052此为G8502G16825G1025间G7512形G8527G1141。如G7536，G78G330，则G16825G1025间G7512形可以G13499G13505生G19283，G19668要G6203G15904以G991的步G20600G726第一步G726在一个G19283为N1的G1025间G7512形生G19283G13333G8554以前，计算出G16825G7512形生G19283G13333G8554G991G2447是G3921是G3363的G20056测G1552PREDNW。G9213G5042G3835G4410G11817G3775G4410G1313G16782G700318第二步G726针对G16825G19283度为N1的G1025间G7512形定出其G990G991G11040NW，NW、NW，则从第N个G2345G1319可以G6930G13634的G1972个G1313G13634G1025按G10043一定的G1260G1820G8437序选出G13792G1000G2494选出一个G1313G13634，将第N个G2345G1319G6930G13634在此，G16825G1025间G7512形生G19283为一个G19283度为N的G1025间G7512形。如G7536PREDNWG33NW，则取G78G32G80ING94G78,G90/G90G96，然G2530按G10043一定G8437序从G78个G1313G13634G1025选出G78个G1126不G11468G2528的G1313G13634，让G16825G1025间G7512形生G19283G13333G8554为G78个G1126不G11468G2528的G19283为N的G1025间G7512形。这G4613是PERM算法的核G5527思想。总的G7481说，PERM算法是在不G7041的G2010支和G2110支的过程G1025G7481生成G20652G2010子G19154，G7380G2530得G2052的G7512G16949G6980G8616完G1852计算法得G2052的少的G3822。另G3818，G7447G18337G20056测G1552PREDNW、G990G991G19492G1552NW和NW为，G991G19492G1552NWG729G24G170，ESURFACEKCAL/MOLG3533G22G16G21G3G3G2397G1065G20G19G19G1285G2154G4025G3702G1254G2397G4221WG32G25G17G19G3G78G70G68G79G18G80G82G79G1285G3691G1560G950G2635G3176G275G24G19G19G19G1201G3524G1945G1802G1285G3691G1560G2719G1285G1491G995G4465G3423G100G271G3533G4399G1784G4533G947G3176G275G4440G1285G2596G4002G1034G1800G1383G3609G21G17G24G3G78G70G68G79G18G80G68G79G272G100G3FIG32DISTRIBUTIONOFADSORPTIONENERGYFORTHE100BONDPECHAINSONTHEADSORPTIONSURFACEW60KCAL/MOL5000SAMPLESG3533G3G22G16G22G3G4002G3496G3691G1560G1285G2397G900G1264G1854G4027G1786G1351G1285G3374G1383G89G1180G4368G2296G2927G1285G3253G4041G3533G100G3FIG33ASCHEMATICILLUSTRATIONOFTHESMDOFANADSORBEDCHAINPULLEDPERPENDICULARLYAWAYFAZZBZG9213G5042G3835G4410G11817G3775G4410G1313G16782G700323FROMASURFACEWITHACONSTANTPULLINGVELOCITYOFVG3图33显示了G2572G19480G20652G2010子G2345G19154从G2572G19480表面以G5670定速度垂G11464G15999拉G17227的过程。一G7693理想的弹簧G15999粘在G19154的一端，弹簧是模G1235AFM或SMFSG1025的测力悬臂所设计的。G7693G6466G43OOG78定律，弹簧所测量G2052的力G9397足0BAZZKF，这G18336，Z表示G15999弹簧拉G17227的那个原子G12175G2572G19480表面的垂G11464距G12175。在这项工作G1025，选择弹簧弹G5627系G69800KG32100G83G49/。在这一章的G991面工作G1025如G7536不作说明，弹簧的拉伸速度G3355为VG320G170G24/G83G86。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,MAX2V/PS30/PSVVVG3533G24G16G23G3G1180G4368G1869G4455G854G2117G1285G4523G1238G4372MAX,2ZS60/PSG5415速度在G89G320G1701/G83G86和3G170/G83G86之间G7114，AG3293G173，BG32182G17G26。G5415速度在G89G323G170/G83G86和6G170/G83G86之间G7114，AG3210G26G26G179，BG32G2623G176。两条G11464线的在G89G323G170/G83G86G3800交汇。G5415拉伸速度低的G7114G1517，像G89G320G1702/G83G86，G19154很G7101的G4613G15999G2572G19480在G2345个表面G990，因为，G19154从G11468对的表面的G2010G12175速度G17241过了两个表面的G2010G12175速度，这导G14280了G11713的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参考文献G621G64STAUDINGERG43G17,POLG92G80ERIZATIONG62MG64,BET,1920,G243G2910G263108G24G622G64于G2528隐,G20652G2010子物理G708修G16758G10268G709G62MG64,复G7098大学出G10268G12050,1990,13G623G64BINNINGG42G17,G52UATEG38G17FG17,G42ERG69ERG38HG17,ATOG80IG70FORG70EG80IG70ROG86G70OG83EG62G45G64,PHG92G86G17REG89G17LETTG17,1986,G246G29930933G62G23G64G38UISG17G59G17,LIUG38G17G45G17,ZHANGG59G17,SIG80G83LEG80ETHODTOIG86OLATEG86INGLEG83OLG92G80ERG70HAING86FORTHEDIREG70TG80EAG86UREG80ENTOFTHEDEG86ORG83TIONFORG70EG62G45G64,G49ANOLETTG17,2003,3G292G23G242G238G62G24G64G43UGELTG17,G42ROG86HOLZMG17,G38LAUG86ENSG70HAUG80ANNG43G17,G40LAG86TIG70ITG92OFG86INGLEG83OLG92ELEG70TROLG92TEG70HAING86ANDTHEIRDEG86ORG83TIONFROG80G86OLIDG86UG83G83ORTG86G86TUDIEDG69G92AFMG69AG86EDG86INGLEG80OLEG70ULEFORG70EG86G83EG70TROG86G70OG83G92G62G45G64,SEITZMG17MAG70ROG80OLEG70ULEG86,2001,3G23G291039G23G26G626G64G38UISG17G59,LIUG38G17G45G17,ZHANGG58G17KG17,DEG86ORG83TIONFORG70EG83ERG83OLG92G86TG92RENEG86EGG80ENTING90ATERG62G45G64,MAG70ROG80OLEG70ULEG86,2003,36G293G26G2693G2682G62G26G64ZHANGG58G17KG17,ZHANGG59G17,SINGLEG80OLEG70ULEG80EG70HANOG70HEG80IG86TRG92OFG80AG70ROG80OLEG70ULEG86G62G45G64,PROGG17POLG92G80G17SG70IG17,2003,28G2912G261129G24G628G64G38UISG17G59,LIUG38G17G45,G58ANGZG17G52G17,SINGLEG80OLEG70ULEFORG70EG86G83EG70TROG86G70OG83G92ONG83OLG92ELEG70TROLG92TEG86G29EFFEG70TOFG86G83AG70ERONADHEG86IONFORG70EANDLINEARG70HARGEDENG86ITG92ONRIGIDITG92G62G45G64,MAG70ROG80OLEG70ULEG86,200G23,3G26G299G2369G243G629G64G16780G12120,G457计算机G2282学方法G2462其G5224用G458G62MG64,G2282学工业出G10268G12050,1990G6210G64ROERG17G45G17,G38OG80G83UTERG86IG80ULATIONOFG83OLG92G80ERG86G62MG64,G49EG90G45ERG86EG92,G56SAG17PRENTIG70EG43ALL,1991G6211G64G7484小G19675,G457G2010子模拟与G20652G2010子G7460G7021G458G62MG64,科学出G10268G12050，2002G6212G64G20544G7003G9146,G457计算物理学G458G62MG64G17G1025国科学技术大学出G10268G12050,2001G6213G64G12131G1860G1823，G2502密G10317，G457G2010子模拟G252从算法G2052运用G458G62MG64,G8766G7003G5041G12573G16805。G2282学工业出G10268G12050，1990G621G23G64MG70G38AG80G80ONG45A,G42ELINBR,KARG83LUG86MG17DG92NAG80IG70G86OFFOLDEDG83ROTEING86G62G45G64G17G49ATURE,19G26G26,26G26G29G248G24G2490G621G24G64KARG83LUG86M,MG70G38AG80G80ONG45AG17MOLEG70ULARDG92NAG80IG70G86G86IG80ULATIONG86OFG69IOG80OLEG70ULEG86G62G45G64G17G49ATSTRUG70TBIOL,2002,9G296G2366G242G6216G64G57ERLETL,G38OG80G83UTEREG91G83ERIG80ENTG86ONG70LAG86G86IG70ALFLUIDG86G17G44G17THERG80ODG92NAG80IG70ALG83ROG83ERTIEG86OFLENNARDG45ONEG86G80OLEG70ULEG86G62G45G64,PHG92G86G17REG89,196G26,1G249G2998103G9213G5042G3835G4410G11817G3775G4410G1313G16782G700369G621G26G64BEEG80AND,SOG80EG80ULTIG86TEG83G80ETHODG86FORUG86EING80OLEG70ULARDG92NAG80IG70G86G70ALG70ULATIONG86G62G45G64,19G266,G45G17G38OG80G83UTG17PHG92G86G1720G29130139G6218G64G49OG86G108S,AUNIFIEDFORG80ULATIONOFTHEG70ONG86TANTTEG80G83ERATUREG80OLEG70ULARDG92NAG80IG70G86G80ETHODG62G45G64,G45G17G38HEG80G17PHG92G86G17198G23,81G29G2411G2419G6219G64G49OG86G108S,AG80OLEG70ULARDG92N