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Borówko M. (ed.) Ч Computational Methods in Surface and Colloid Science
Borówko M. (ed.) Ч Computational Methods in Surface and Colloid Science



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Ќазвание: Computational Methods in Surface and Colloid Science

јвтор: Borówko M. (ed.)

јннотаци€:

This volume presents computer simulation methods and mathematical modelling of physical processes used in surface science research. It offers in-depth analysis of advanced theoretical approaches to behaviours of fluids in contact with porous, semiporous and nonporous solid surfaces. The book also explores interfacial systems for a wide variety of phenomena, including: absorption, flotation, osmosis, and colloidal stability.


язык: en

–убрика: ћатематика/

—татус предметного указател€: √отов указатель с номерами страниц

ed2k: ed2k stats

√од издани€: 2000

 оличество страниц: 941

ƒобавлена в каталог: 29.11.2009

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ѕредметный указатель
Adsorption at aqueous interfaces      362 365Ч367 369 377
Adsorption at solid surfaces      57Ч60 245Ч280 388 389 392 395 398 401 404 405 407 415 532Ч537 569Ч580 851 865 869 870 881 907
Adsorption energy distribution function (AEDF)      246 247 251Ч254 257 260 278
Adsorption in disordered porous media      293Ч343
Adsorption of associating fluids      168 170 171 182Ч186 207 208 211 219 220 225 228 230 231 238
Adsorption of polymers      532Ч537 555Ч558 565 569Ч581 587
Adsorption on charged surfaces      803 812 833 839
Adsorption transition      558 571Ч574
Adsorption, contact      365 366 367
Adsorption, dissociative      377 440 441 443
Adsorption, isosteric heat of      263 441 445 446 453
Adsorption, isotherm of      225 230 231 246 247 255 256 263Ч265 267 306 313 318 322 441 532 533 803
Adsorption, kinetics of      439Ч477
Adsorption, nondissociative      463Ч470
Adsorption, precursor mediated      441 470Ч472
Adsorption, quantum effects      77Ч123
Aggregation      510 636 651 745 746 767
Aggregation, diffusion-limited (ADL)      886 888
Aggregation, number      636 651 653 654
Alexander model      657 669
Alloys      88 907
Amphiphiles      631Ч673 686Ч688 721Ч724 see
Associating fluids      168Ч238 342
Association      168Ч238 321
Association, constant      197
Association, degree      180
Associative potentials      167 171 194
Ballone Ч Pastore Ч Galli Ч Gazillo approximation (BPGG)      149
Bead-spring model      495 496 563Ч569 605
Bifurcation analysis      686 724Ч730
Bifurcation line      686 724Ч726
Bond fluctuation model (BFM)      495 496 515 517 519 563 646
Born Ч Green Ч Yvon hierarchy (BGY)      139 140 142 145 151 294 330 332 333
Born Ч Oppenheimer approximation      82
Born Ч Oppenheimer potential surface energy      348 485
Bose statistics      see "Quantum statistics"
Bose Ч Einstein condensation      94
Brownian dynamics      3 343 563 749 765Ч767 815 907
Butler Ч Volmer law      368
Capacitance, differential      801 803 804 820 822 825Ч827 831 833 834 840
Capillary condensation, association effects on      167 171 222Ч228
Car Ч Parinello method      82 853 907
Carnahan Ч Starling equation      144 150 153 198 213 218 234 320 336
Catalytic reactions      387Ч430
Cavity function      141 142 173 176 199Ч201 214 331
Cavity function, generalized      151
Chaos      907
Chapman Ч Kolmogoroff equation      24
Chemically reacting fluids      see "Associating fluids"
Clausius' virial      30
Coarse-grained models      482 515 556 563 597 637 643
Coarse-grained thermodynamics      14Ч16
Colloidal suspensions      see "Colloids"
Colloids      3 154 294 295 308 309 311 342 745Ч769
Compressibility, equation      215
Compressibility, isothermal      264 266 267 301 513 815
Compressibility, isothermal, transverse      16 44
Computed adsorption energy distribution in monolayers (CAEDMON)      247
Computer simulation      see "Monte Carlo method" "Molecular
Convolution integrals      141
Correlation functions      19Ч21 41Ч42 139 155 174Ч176 177 179 195 196 201 206 293 300 301 331 332 336 338 350 441 749 756
Correlation, blocking      301 302 308 321
Correlation, connected      301 322
Correlation, direct (DCF)      100 139 150 155 156 159 171Ч175 177 179 190 196 302 308 321 322 332
Correlation, indirect      139
correlation, partial      195 196 201 205
Critical exponents      63 84 112 267 394 397 422 429 521Ч523 530 532 862
Critical micelle condensation (CMC)      651Ч653
Critical phenomena      78 388 393 510
Crossover exponent      573
Crystal growth      851Ч906
Crystal growth of ice      376
Crystal growth, Bridgman      852 903 904
Crystal growth, cluster      852 884
Crystal growth, Czochralski      852 903 904
Crystal growth, diffusion-limited aggregation      888
Crystal growth, diffusional      852 895 896
Crystal growth, Epitaxial      82 871 879
Crystal growth, eutectic      852 900 901
Crystal growth, fractal      886
Crystal growth, kinetics of      851 860 863
Crystal growth, phenomenological models of      855
Crystal growth, spiral      871 873 882
Cummings Ч Stell theory      178 184 186
Cumulant analysis      84Ч85 see
Cumulants      84Ч86 88 120 121
Curvatures, Gaussian      668 670 688Ч690 696 698Ч700 730Ч737
Curvatures, mean      668 670 688Ч690 696 698Ч700 703 730Ч737
Debye length      367 802 814 815 817 833 835
Debye Ч Huckel law      814
Density functional theory      9 99Ч101 477 487 757 807 857 858
Density functional theory of associating fluids      167 168 171 190 211Ч228
Density-alignment distribution      36 37 40 41
Depletion forces      9
Derjaguin approximation      8Ч11
Derjaguin Ч Landau Ч Verwey Ч Overbeek theory (DLYO)      148 157 567 757
Desorption      389 392 404 405 417 418 421 439Ч177 851 869 881 908
Dewetting      555 556 558 614Ч623 852 895
Diffuse layer      367 828 830 831
Diffusion      391 392 400 408 412 413 416 429 430 444 463 468 474 489 490 491 495 496 502 545Ч547 576 577 584 600 765 779 780 852 853 855 868 877 880Ч885 888 903
Diffusion coefficient      350 372 487 489 502 545Ч547 605 611 749 861 895
Diffusion constant      482 496 545 579 587 873 895 901
Diffusion equations      399 402 853 862 891
Diffusion surface      398 399 414 439 441 469 475 851 861 868 871 880 914
Diffusion terrace      873
Diffusion, self-diffusion coefficient      361 362 369 376
Diffusion, sliding      905
Disordered porous systems      see "Random porous media"
Double layer      348 358 365 367 799Ч846
Duh Ч Haymet Ч Henderson approximation (DHH)      146 160 161 162
Dynamic exponents      396 397
Elastic modulus      493 497
Electrical double layer      see "Double layer"
Electro-osmosis      775 778 785Ч789 793 794
Electrocapillary curve      803
Electrochemical double layer      see "Double layer"
Electrolyte solutions      365Ч368 790Ч794 802 803 805 812Ч817 see
Embedded atom method (EAM)      855 857 908
Epidemic analysis      395 397
Equilibrium theory of confined phases      3Ч21
Euler characteristic      668 669 689 696 700 701 711Ч717 731
Fermi statistics      see "Quantum statistics"
Field theory (FT)      805Ч807 846
Field theory (FT) of ionic solutions      812Ч817
Finite-size scaling theory      see "Scaling"
Finitely extendible nonlinear elastic potential (FENE)      519 564 592 608
Flory exponent      528 531 603
Fluctuations      44 53 300 361 394 395 401 423 658 660 661 665 672 861 862 866 872 880 896 909
Fluctuations, quantum      112 116 776
Fluctuations, topological      685 711Ч712
Fluid lamella      5
Force expressions      31 49
Force field      485Ч487
Fourier transform      141 155 156 215 635 691
Fourier Ч Bessel transform      83
Fractal      397 398 852 869 886 888 892 896 909
Fractal dimension      888
Freezing      98 99 140 376 672 745 747 753 757 760 767 854 867 898
Freezing surface-induced      49
Gay Ч Berne fluid      35Ч37 40 41 662
Genus      700 701 708
Gibbs Ч Duhem equation      12 14 16
Gibbs' fundamental relation      6
Ginzburg Ч Landau models      631 638Ч640 666Ч667 685Ч739 878
Ginzburg Ч Landau models, equation      861 875 878
Ginzburg Ч Landau models, extended      686 720Ч724
Ginzburg Ч Landau theories      see "Ginzburg Ч Landau models"
Glass      373Ч375 499Ч505
Gouy Ч Chapman theory      358 367 799 800 803Ч805 819 825Ч828 830 831 833 836 840 846
Gouy Ч Chapman theory, nonlinear (NLGC)      799 802 821Ч827 839 840
Growth exponent      398 526
Hamiltonian      92 95 98 100 101 110 113Ч115 255 269 272 277 443 448 470 473 512 645 656 658 660 664 802 804 806Ч812 815 817 818 835 836 846 858 859 864
Hard-sphere fluids      3 35 140 144 161 211 234 294 305Ч307 312 319Ч322
Hard-sphere fluids, associating      178 197 216
Hard-sphere potential      137 179 321 750
Henderson Ч Abraham Ч Barker equation (HAB)      158Ч160
Henderson Ч Abraham Ч Barker equation (HAB), associative extension      170
Heterogeneity Investigation at Loughborough by a Distribution Analysis (HILDA)      247
Homogeneity of thermodynamic potentials      11
Hydrogen bonds      348Ч350 354 355 357 361 362 368 369 371 373 379 493 637 638 662
Hypernetted chain approximation (HNC)      9 141 142 144 146 149 157 159Ч162 303 305 321 322 325 326 330 802
Hypernetted chain approximation (HNC), first-order (HNC1)      172 173 175Ч177 180Ч182 187 190 191
Hypernetted chain approximation (HNC), hydrostatic (HHNC1)      191
Hypernetted chain approximation (HNC), reference (RHNC)      149
Hypernetted chain approximation (HNC), second-order (HNC2)      175 186 333 336 802
Inhomogeneous fluids      158Ч160
Inhomogeneous fluids, associating      167Ч238
Inhomogeneous fluids, partly quenched      293 330Ч337
Integral equations      9 135Ч163
Integral equations for associating fluids      171Ч211
Integral equations for partly quenched systems      293Ч346
Integral equations, geometrically based hierarchy      151Ч154
Interfaces, aqueous      355Ч378
Interfaces, charged      802 805Ч808 817Ч846
Interfaces, electrified      see "Interfaces charged"
Interfaces, electrochemical      358Ч369
Interfacial tensions      7 18 266 284 285 600 636 652 659 803
Ionic clusters      790 791 793
Ionic solutions      see "Electrolyte solutions"
Irreversible phase transitions      see "Surface chemical reactions"
Ising model      89 150 265 266 272 283 428 655 660 855 858 910
Kardar Ч Parisi Ч Zhang model (KPZ)      398Ч401 406Ч408 412 416 418 421Ч424 851 861 862 910
Kierlik Ч Rosinberg theory      211 212
Kinetics of adsorption, desorption      439Ч477
Kinetics of crystal growth      851 860 861 863Ч888
Kinetics of dewetting      620
Kinetics of living polymer      539Ч544
Kinetics of phase separation      636 638 651 662
Kinetics of shear-induced phase transitions      662
Langmuir kinetics      465 466
Langmuir monolayers      645 648 663
Langmuir Ч Hinshelwood mechanism      392 415 419 421 423
Larson model      643Ч645 647 653
layering      277Ч279 314
Lennard Ч Jones fluids      30 31 42 100 107 146 161 191 307 761 767 781 786 790
Lennard Ч Jones fluids, associating      199 201Ч204 219Ч233 235Ч237
Lennard Ч Jones potentials      31 82 83 107 115 137 144 199 200 219 229 230 255 306 354Ч356 365 369 373 486 496 519 647 648 760 785 858 910
Levy exchange mechanism      428 429
Lie group      800 835 836 842 843
Lifshitz line      692
Lipid bilayers      642 648
Liquid bridge      60 64
Liquid crystal      29 35 911
Lovett Ч Mou Ч Buff Ч Wertheim equation (LMBW)      160 200 201 330 331
Macroscopic director      28
Markov process      21Ч26 440 463 474 561 752
Martynov Ч Sarkisov approximation (MS)      149
Mathieu equation      117 118
Maximum entropy method      102 104
Mean spherical approximation (msa)      146 148 160 306 307 338 805
Mean spherical approximation (MSA), extended (EMSA)      180Ч182
Mean spherical approximation (MSA), site-site extended (SSEMSA)      180
Mean-field approximation (MFA)      63 99 100 103 104 107 119 120 248 285 296 306 307 390 509 510 511 520Ч522 526 530 390 531 539 543 548 658 661 685 692 709 710 721Ч722 729 802 807Ч814 821 835 846 854 864 865 879
Membranes      712
Membranes, biological      535 578 633 636
Membranes, permeable      311 312 341
Membranes, semi-permeable      233Ч237 775Ч795
Metropolis method      25 349 503 512 514 517 562 564 669 752
Micelles      509Ч549 636Ч638 642 647 651Ч654 686
Micelles, critical condensation of (CMC)      651Ч653
Micelles, giant wormlike (GM)      509Ч511 517 519 526 529 531 537 538 544 547Ч549
Microemulsions      635 668 659 661 685Ч743
Microemulsions, structure of      730Ч737
Microporous matrices      see "Random porous media"
Microscopic director      28 29
Microscopic reversibility      24
Modified Meister Ч Kroll theory      167 214Ч216
Modified Verlet approximation (MY)      146 149 154 159 160 162
molecular beam epitaxy (MBE)      855 880 884Ч886 911
Molecular Dynamics      22 249 260 268 348 349 355 377 378 485Ч505 519 556 569 637 749 757 767 853 855
Molecular dynamics, nonequilibrium (NEMD)      51
Molecular dynamics, osmotic      782Ч786
Molecular weight distribution (MWD)      510 511 514 519 522Ч526 528 537 541 548
Monte Carlo simulations      1 21Ч29 53 60 77 78 84Ч91 97 98 153 167Ч169 171 191 211 216 228Ч233 249 268 269 273 279 312Ч320 333Ч336 342 348 349 355 377 378 391Ч430 412 440 476 481 488 499Ч505 511Ч519 529 531 532 535 545 556 558 559Ч569 573 581 608 615 640 647 649 657 658 660 662 668 669 690 710Ч721 749 751Ч753 757 763 765 802 853 857 863 874 882 905
Monte Carlo simulations, osmotic      233Ч237 780Ч782 785
Monte Carlo simulations, path integral (PIMC)      78 80 91Ч99 102Ч106 113 114 117 119Ч123
Morse potential      564 565 592
Navier Ч Stokes equations      666 903 904 911
Nonuniform fluids      see "Inhomogeneous fluids"
Nucleation      273 851 865Ч867 902 912
Order parameters      84 115 116 119 393 394 510 513 638 639 666 688Ч740
Order parameters, passim      749 762 769 865 868
Orientational bias      28
Ornstein Ч Zernike equations (OZ)      141 148 150 154 155 158 160 162 308 313 321 see
Ornstein Ч Zernike equations (OZ), inhomogeneous (IOZ)      160 174 178 179 190
Ornstein Ч Zernike equations (OZ), multidensity      169 194Ч196 200 201 205 207
Ornstein Ч Zernike equations (OZ), second-order (OZ2)      161 162 331
Oscillatory behavior in reactions      see "Surface reactions"
Osmosis      775Ч779
Osmosis, reversed      775 777Ч779 784Ч786 790 793
Osmotic pressure      776 780 781
Ostwald-ripening      867 886
Pair distribution functions      20 58 138Ч140 199 202 214 300 303 331
Pairwise additivity      136 138 640
Partly quenched systems      293Ч346 see
Partly quenched systems, ionic      293 337Ч341
Path Integral Monte Carlo      see "Monte Carlo method"
Percolation      394 422 428Ч430
Percus Ч Yevick approximation (PY)      103 142 144Ч146 148 149 151 157 160 162 179 197 190 206 207 214 215 302 303 305 308 313 314 318 319 321 322 325 330 332
Percus Ч Yevick approximation (PY), first-order (PY1)      173 175 176 180Ч183 187 188 190
Percus Ч Yevick approximation (PY), second-order (PY2)      175 186 188 333 336
Phase diagrams      64 78 81 98 101 106 119 228 269Ч271 633Ч636 644 649 660Ч662 671Ч672 685 709 710 749 755 759 900 912
Phase transitions      1 3 49Ч66 78Ч82 84Ч88 98Ч123 261Ч286 295 304 359 364 557 635Ч639 658 662 665 686 712 714Ч720 755 760 763 764 854 878 912
Phase transitions, commensurate-incommensurate      5 79 81 261 262 273Ч276
Phase transitions, herringbone      78 110
Phase transitions, microemulsion-lamellar      714Ч720
Phase transitions, shear-induced      49Ч56 662
Phase, bicontinuous      633 686 687 709
Phase, columnar      762 763
Phase, cubic      687 692 696
Phase, diamond      692 696 727
Phase, ferromagnetic      98Ч104 106
Phase, gyroid      633 635 643 644 696 702 706 708 710 727
Phase, hexagonal      633 635 644 687 692 727
Phase, lamellar      633 635 642 644 646 660Ч662 686 687 692 714 716 720 727
Phase, nematic      29 35 762 763 911
Phase, paramagnetic      98Ч104 106
Phase, smectic      40 762 763 913
Phase, tilted      636
Phase-field piodels      851 853 855 877Ч879 904 912
Pink model      664
Poisson equation      361 802 804 810 818 821
Poisson Ч Boltzmann theory      802 805
Polydisperse fluids      154Ч157
Polydispersity      154 157 548 747 759 760 763
Polymer crystals      905
Polymer glasses      481 499Ч505
Polymer melts      481 493Ч499 511
Polymer networks      481 493Ч499
Polymerization      see "Polymers living"
Polymers      481Ч623 905 912
Polymers in random porous media      600Ч614
Polymers in solutions      492Ч493 555 558 594Ч600
Polymers, dense      481Ч506 905
Polymers, equilibrium (EP)      509Ч549
Polymers, living (LP)      509Ч511 526 529 532Ч537 539 544 548 549
Potential of mean force (PMF)      308 309 311 805
Potts model      512 664 665
Prewetting      219Ч228 230 233 278
Principle of detailed balance      24 28 464 752 864 882
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