Microscopic theory of the influence of strong attractive forces on the activated dynamics of dense glass and gel forming fluids

Ghosh, Ashesh; Schweizer, Kenneth S.

doi:10.1063/1.5129941

Title: Microscopic theory of the influence of strong attractive forces on the activated dynamics of dense glass and gel forming fluids

Journal Article · 25 December 2019 · Journal of Chemical Physics

DOI: https://doi.org/10.1063/1.5129941 · OSTI ID:1607392

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Univ. of Illinois at Urbana-Champaign, IL (United States); University of Illinois at Urbana-Champaign
Univ. of Illinois at Urbana-Champaign, IL (United States)

We theoretically study the nonmonotonic (re-entrant) activated dynamics associated with a finite time scale kinetically defined repulsive glass to fluid to attractive glass transition in high volume fraction particle suspensions interacting via strong short range attractive forces. The classic theoretical "projection" approximation that replaces all microscopic forces by a single effective force determined solely by equilibrium pair correlations is revisited based on the "projectionless dynamic theory" (PDT). A hybrid-PDT approximation is formulated that explicitly quantifies how attractive forces induce dynamical constraints, while singular hard core interactions are treated based on the projection approach. Both the effects of interference between repulsive and attractive forces, and structural changes due to attraction-induced bond formation that competes with caging, are included. Combined with the microscopic Elastically Collective Nonlinear Langevin Equation (ECNLE) theory of activated relaxation, the resultant approach appears to properly capture both the re-entrant dynamic crossover behavior and the strong nonmonotonic variation of the activated structural relaxation time with attraction strength and range at very high volume fractions as observed experimentally and in simulations. Testable predictions are made. Major differences compared to both ideal mode coupling theory and ECNLE theory based on the full force projection approximation are identified. Calculations are also performed for smaller time and length scale intracage dynamics relevant to the non-Gaussian parameter based on analyzing the dynamic free energy that controls particle trajectories. Implications of the new theory for thermal glass forming liquids with relatively long range attractive forces are briefly analyzed. Published under license by AIP Publishing.

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Research Organization:: Univ. of Illinois at Urbana-Champaign, IL (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Materials Sciences & Engineering Division

Grant/Contract Number:: FG02-07ER46471

OSTI ID:: 1607392

Journal Information:: Journal of Chemical Physics, Journal Name: Journal of Chemical Physics Journal Issue: 24 Vol. 151; ISSN 0021-9606

Publisher:: American Institute of Physics (AIP)Copyright Statement

Country of Publication:: United States

Language:: English

References (71)

Dynamical fluctuation effects in glassy colloidal suspensions Schweizer, K. Current Opinion in Colloid & Interface Science, Vol. 12, Issue 6 https://doi.org/10.1016/j.cocis.2007.07.013	journal	December 2007
Source of non-Arrhenius average relaxation time in glass-forming liquids Dyre, Jeppe C. Journal of Non-Crystalline Solids, Vol. 235-237 https://doi.org/10.1016/s0022-3093(98)00502-x	journal	August 1998
Colloidal glasses Härtl, Wolfram Current Opinion in Colloid & Interface Science, Vol. 6, Issue 5-6 https://doi.org/10.1016/s1359-0294(01)00120-0	journal	November 2001
Comparison of Dynamical Heterogeneity in Hard-Sphere and Attractive Glass Formers ^† Reichman, David R.; Rabani, Eran; Geissler, Phillip L. The Journal of Physical Chemistry B, Vol. 109, Issue 30 https://doi.org/10.1021/jp044559n	journal	August 2005
Unified Theory of Activated Relaxation in Liquids over 14 Decades in Time Mirigian, Stephen; Schweizer, Kenneth S. The Journal of Physical Chemistry Letters, Vol. 4, Issue 21 https://doi.org/10.1021/jz4018943	journal	October 2013
Glassy Dynamics and Kinetic Vitrification of Isotropic Suspensions of Hard Rods Yatsenko, Galina; Schweizer, Kenneth S. Langmuir, Vol. 24, Issue 14 https://doi.org/10.1021/la8002492	journal	July 2008
Relaxation in glassforming liquids and amorphous solids Angell, C. A.; Ngai, K. L.; McKenna, G. B. Journal of Applied Physics, Vol. 88, Issue 6 https://doi.org/10.1063/1.1286035	journal	September 2000
Transport coefficients in glassy colloidal fluids Saltzman, Erica J.; Schweizer, Kenneth S. The Journal of Chemical Physics, Vol. 119, Issue 2 https://doi.org/10.1063/1.1578633	journal	July 2003
Role of Repulsive Forces in Determining the Equilibrium Structure of Simple Liquids Weeks, John D.; Chandler, David; Andersen, Hans C. The Journal of Chemical Physics, Vol. 54, Issue 12 https://doi.org/10.1063/1.1674820	journal	June 1971
Microscopic theory of gelation and elasticity in polymer–particle suspensions Chen, Yeng-Long; Schweizer, Kenneth S. The Journal of Chemical Physics, Vol. 120, Issue 15 https://doi.org/10.1063/1.1683077	journal	April 2004
Derivation of a microscopic theory of barriers and activated hopping transport in glassy liquids and suspensions Schweizer, Kenneth S. The Journal of Chemical Physics, Vol. 123, Issue 24 https://doi.org/10.1063/1.2137701	journal	December 2005
Activated hopping and dynamical fluctuation effects in hard sphere suspensions and fluids Saltzman, Erica J.; Schweizer, Kenneth S. The Journal of Chemical Physics, Vol. 125, Issue 4 https://doi.org/10.1063/1.2217739	journal	July 2006
Direct imaging of repulsive and attractive colloidal glasses Kaufman, Laura J.; Weitz, David A. The Journal of Chemical Physics, Vol. 125, Issue 7 https://doi.org/10.1063/1.2227386	journal	August 2006
Collisions, caging, thermodynamics, and jamming in the barrier hopping theory of glassy hard sphere fluids Schweizer, Kenneth S.; Yatsenko, Galina The Journal of Chemical Physics, Vol. 127, Issue 16 https://doi.org/10.1063/1.2780861	journal	October 2007
The role of attractive forces in viscous liquids Berthier, Ludovic; Tarjus, Gilles The Journal of Chemical Physics, Vol. 134, Issue 21 https://doi.org/10.1063/1.3592709	journal	June 2011
Percolation, phase separation, and gelation in fluids and mixtures of spheres and rods Jadrich, Ryan; Schweizer, Kenneth S. The Journal of Chemical Physics, Vol. 135, Issue 23 https://doi.org/10.1063/1.3669649	journal	December 2011
Vibrational dephasing and frequency shifts of polyatomic molecules in solution Schweizer, Kenneth S.; Chandler, David The Journal of Chemical Physics, Vol. 76, Issue 5 https://doi.org/10.1063/1.443302	journal	March 1982
Molecular dynamics study of binary soft‐sphere mixtures: Jump motions of atoms in the glassy state Miyagawa, H.; Hiwatari, Y.; Bernu, B. The Journal of Chemical Physics, Vol. 88, Issue 6 https://doi.org/10.1063/1.453836	journal	March 1988
Microscopic theory of the dynamics of polymeric liquids: General formulation of a mode–mode‐coupling approach Schweizer, Kenneth S. The Journal of Chemical Physics, Vol. 91, Issue 9 https://doi.org/10.1063/1.457533	journal	November 1989
Elastically cooperative activated barrier hopping theory of relaxation in viscous fluids. I. General formulation and application to hard sphere fluids Mirigian, Stephen; Schweizer, Kenneth S. The Journal of Chemical Physics, Vol. 140, Issue 19 https://doi.org/10.1063/1.4874842	journal	May 2014
Elastically cooperative activated barrier hopping theory of relaxation in viscous fluids. II. Thermal liquids Mirigian, Stephen; Schweizer, Kenneth S. The Journal of Chemical Physics, Vol. 140, Issue 19 https://doi.org/10.1063/1.4874843	journal	May 2014
Vitrification and gelation in sticky spheres Royall, C. Patrick; Williams, Stephen R.; Tanaka, Hajime The Journal of Chemical Physics, Vol. 148, Issue 4 https://doi.org/10.1063/1.5000263	journal	January 2018
Colloidal glasses and gels: The interplay of bonding and caging Zaccarelli, E.; Poon, W. C. K. Proceedings of the National Academy of Sciences, Vol. 106, Issue 36 https://doi.org/10.1073/pnas.0902294106	journal	August 2009
Glassy colloidal systems Sciortino, F.; Tartaglia, P. Advances in Physics, Vol. 54, Issue 6-7 https://doi.org/10.1080/00018730500414570	journal	September 2005
The physics of the colloidal glass transition Hunter, Gary L.; Weeks, Eric R. Reports on Progress in Physics, Vol. 75, Issue 6 https://doi.org/10.1088/0034-4885/75/6/066501	journal	May 2012
The physics of a model colloid polymer mixture Poon, W. C. K. Journal of Physics: Condensed Matter, Vol. 14, Issue 33 https://doi.org/10.1088/0953-8984/14/33/201	journal	August 2002
Anomalous diffusion, structural relaxation and shear thinning in glassy hard sphere fluids Saltzman, Erica J.; Yatsenko, Galina; Schweizer, Kenneth S. Journal of Physics: Condensed Matter, Vol. 20, Issue 24 https://doi.org/10.1088/0953-8984/20/24/244129	journal	May 2008
Colloidal glasses Pusey, P. N. Journal of Physics: Condensed Matter, Vol. 20, Issue 49 https://doi.org/10.1088/0953-8984/20/49/494202	journal	November 2008
Gelation as arrested phase separation in short-ranged attractive colloid–polymer mixtures Zaccarelli, Emanuela; Lu, Peter J.; Ciulla, Fabio Journal of Physics: Condensed Matter, Vol. 20, Issue 49 https://doi.org/10.1088/0953-8984/20/49/494242	journal	November 2008
Mode-coupling theory Reichman, David R.; Charbonneau, Patrick Journal of Statistical Mechanics: Theory and Experiment, Vol. 2005, Issue 05 https://doi.org/10.1088/1742-5468/2005/05/p05013	journal	May 2005
Connections between some kinetic and equilibrium theories of the glass transition Kirkpatrick, T. R.; Wolynes, P. G. Physical Review A, Vol. 35, Issue 7 https://doi.org/10.1103/physreva.35.3072	journal	April 1987
Glass transition in colloidal hard spheres: Measurement and mode-coupling-theory analysis of the coherent intermediate scattering function van Megen, W.; Underwood, S. M. Physical Review E, Vol. 49, Issue 5 https://doi.org/10.1103/physreve.49.4206	journal	May 1994
Glasses in hard spheres with short-range attraction Pham, K. N.; Egelhaaf, S. U.; Pusey, P. N. Physical Review E, Vol. 69, Issue 1 https://doi.org/10.1103/physreve.69.011503	journal	January 2004
Strain softening, yielding, and shear thinning in glassy colloidal suspensions Kobelev, Vladimir; Schweizer, Kenneth S. Physical Review E, Vol. 71, Issue 2 https://doi.org/10.1103/physreve.71.021401	journal	February 2005
Non-Gaussian effects, space-time decoupling, and mobility bifurcation in glassy hard-sphere fluids and suspensions Saltzman, Erica J.; Schweizer, Kenneth S. Physical Review E, Vol. 74, Issue 6 https://doi.org/10.1103/physreve.74.061501	journal	December 2006
Large-amplitude jumps and non-Gaussian dynamics in highly concentrated hard sphere fluids Saltzman, Erica J.; Schweizer, Kenneth S. Physical Review E, Vol. 77, Issue 5 https://doi.org/10.1103/physreve.77.051504	journal	May 2008
Gelation and phase coexistence in colloidal suspensions with short-range forces: Generic behavior versus specificity Germain, Ph.; Amokrane, S. Physical Review E, Vol. 81, Issue 1 https://doi.org/10.1103/physreve.81.011407	journal	January 2010
Critical test of the mode-coupling theory of the glass transition Berthier, Ludovic; Tarjus, Gilles Physical Review E, Vol. 82, Issue 3 https://doi.org/10.1103/physreve.82.031502	journal	September 2010
Activated dynamics in dense fluids of attractive nonspherical particles. I. Kinetic crossover, dynamic free energies, and the physical nature of glasses and gels Tripathy, Mukta; Schweizer, Kenneth S. Physical Review E, Vol. 83, Issue 4 https://doi.org/10.1103/physreve.83.041406	journal	April 2011
α -relaxation, shear viscosity, and elastic moduli of hard-particle fluids from a mode-coupling theory with a retarded vertex Amokrane, S.; Germain, Ph. Physical Review E, Vol. 99, Issue 5 https://doi.org/10.1103/physreve.99.052120	journal	May 2019
Probing the Equilibrium Dynamics of Colloidal Hard Spheres above the Mode-Coupling Glass Transition Brambilla, G.; El Masri, D.; Pierno, M. Physical Review Letters, Vol. 102, Issue 8 https://doi.org/10.1103/physrevlett.102.085703	journal	February 2009
Nonperturbative Effect of Attractive Forces in Viscous Liquids Berthier, Ludovic; Tarjus, Gilles Physical Review Letters, Vol. 103, Issue 17 https://doi.org/10.1103/physrevlett.103.170601	journal	October 2009
Microscopic Dynamics of Supercooled Liquids from First Principles Janssen, Liesbeth M. C.; Reichman, David R. Physical Review Letters, Vol. 115, Issue 20 https://doi.org/10.1103/physrevlett.115.205701	journal	November 2015
Microscopic Theory for the Role of Attractive Forces in the Dynamics of Supercooled Liquids Dell, Zachary E.; Schweizer, Kenneth S. Physical Review Letters, Vol. 115, Issue 20 https://doi.org/10.1103/physrevlett.115.205702	journal	November 2015
Comparative Simulation Study of Colloidal Gels And Glasses Puertas, Antonio M.; Fuchs, Matthias; Cates, Michael E. Physical Review Letters, Vol. 88, Issue 9 https://doi.org/10.1103/physrevlett.88.098301	journal	February 2002
Re-entrant Glass Transition in a Colloid-Polymer Mixture with Depletion Attractions Eckert, T.; Bartsch, E. Physical Review Letters, Vol. 89, Issue 12 https://doi.org/10.1103/physrevlett.89.125701	journal	August 2002
Colloidal Glass Transition: Beyond Mode-Coupling Theory Szamel, Grzegorz Physical Review Letters, Vol. 90, Issue 22 https://doi.org/10.1103/physrevlett.90.228301	journal	June 2003
High-Order Mode-Coupling Theory for the Colloidal Glass Transition Wu, Jianlan; Cao, Jianshu Physical Review Letters, Vol. 95, Issue 7 https://doi.org/10.1103/physrevlett.95.078301	journal	August 2005
Cooperativity beyond Caging: Generalized Mode-Coupling Theory Mayer, Peter; Miyazaki, Kunimasa; Reichman, David R. Physical Review Letters, Vol. 97, Issue 9 https://doi.org/10.1103/physrevlett.97.095702	journal	August 2006
Universal Nature of Particle Displacements close to Glass and Jamming Transitions Chaudhuri, Pinaki; Berthier, Ludovic; Kob, Walter Physical Review Letters, Vol. 99, Issue 6 https://doi.org/10.1103/physrevlett.99.060604	journal	August 2007
Colloquium : The glass transition and elastic models of glass-forming liquids Dyre, Jeppe C. Reviews of Modern Physics, Vol. 78, Issue 3 https://doi.org/10.1103/revmodphys.78.953	journal	September 2006
Theoretical perspective on the glass transition and amorphous materials Berthier, Ludovic; Biroli, Giulio Reviews of Modern Physics, Vol. 83, Issue 2 https://doi.org/10.1103/revmodphys.83.587	journal	June 2011
Yielding behavior of repulsion- and attraction-dominated colloidal glasses Pham, K. N.; Petekidis, G.; Vlassopoulos, D. Journal of Rheology, Vol. 52, Issue 2 https://doi.org/10.1122/1.2838255	journal	March 2008
Multiple Glassy States in a Simple Model System Pham, K. N. Science, Vol. 296, Issue 5565 https://doi.org/10.1126/science.1068238	journal	April 2002
Intermolecular Forces and the Nature of the Liquid State: Liquids reflect in their bulk properties the attractions and repulsions of their constituent molecules Widom, B. Science, Vol. 157, Issue 3787 https://doi.org/10.1126/science.157.3787.375	journal	July 1967
Three-Dimensional Direct Imaging of Structural Relaxation Near the Colloidal Glass Transition Weeks, E. R. Science, Vol. 287, Issue 5453 https://doi.org/10.1126/science.287.5453.627	journal	January 2000
Testing “microscopic” theories of glass-forming liquids Berthier, L.; Tarjus, G. The European Physical Journal E, Vol. 34, Issue 9 https://doi.org/10.1140/epje/i2011-11096-5	journal	September 2011
Stress-enhanced mobility and dynamic yielding in polymer glasses Chen, Kang; Schweizer, Kenneth S. Europhysics Letters (EPL), Vol. 79, Issue 2 https://doi.org/10.1209/0295-5075/79/26006	journal	July 2007
Yielding of colloidal glasses Pham, K. N.; Petekidis, G.; Vlassopoulos, D. Europhysics Letters (EPL), Vol. 75, Issue 4 https://doi.org/10.1209/epl/i2006-10156-y	journal	August 2006
Colloidal Glasses Poon, Wilson C. K. MRS Bulletin, Vol. 29, Issue 2 https://doi.org/10.1557/mrs2004.35	journal	February 2004
Universal nature of particle displacements close to glass and jamming transitions Chaudhuri, Pinaki; Berthier, Ludovic; Kob, Walter arXiv https://doi.org/10.48550/arxiv.0707.2095	text	January 2007
Gelation as arrested phase separation in short-ranged attractive colloid-polymer mixtures Zaccarelli, Emanuela; Lu, Peter J.; Ciulla, Fabio arXiv https://doi.org/10.48550/arxiv.0810.4239	text	January 2008
Nonperturbative effect of attractive forces in viscous liquids Berthier, Ludovic; Tarjus, Gilles arXiv https://doi.org/10.48550/arxiv.0907.2343	text	January 2009
Theoretical perspective on the glass transition and amorphous materials Berthier, Ludovic; Biroli, Giulio arXiv https://doi.org/10.48550/arxiv.1011.2578	text	January 2010
The role of attractive forces in viscous liquids Berthier, Ludovic; Tarjus, Gilles arXiv https://doi.org/10.48550/arxiv.1103.0432	text	January 2011
The Physics of the Colloidal Glass Transition Hunter, Gary L.; Weeks, Eric R. arXiv https://doi.org/10.48550/arxiv.1106.3581	text	January 2011
Elastically Cooperative Activated Barrier Hopping Theory of Relaxation in Viscous Fluids. I. General Formulation and Application to Hard Sphere Fluids Mirigian, Stephen; Schweizer, Kenneth S. arXiv https://doi.org/10.48550/arxiv.1402.5124	text	January 2014
Microscopic dynamics of supercooled liquids from first principles Janssen, Liesbeth M. C.; Reichman, David R. arXiv https://doi.org/10.48550/arxiv.1507.01947	text	January 2015
Colloidal glass transition: Beyond mode-coupling theory Szamel, Grzegorz arXiv https://doi.org/10.48550/arxiv.cond-mat/0305626	text	January 2003
Comparison of Dynamical Heterogeneity in Hard-Sphere and Attractive Glass Formers Reichman, David R.; Rabani, Eran; Geissler, Phillip L. arXiv https://doi.org/10.48550/arxiv.cond-mat/0406136	preprint	January 2004
Cooperativity Beyond Caging: Generalized Mode Coupling Theory Mayer, Peter; Miyazaki, Kunimasa; Reichman, David R. arXiv https://doi.org/10.48550/arxiv.cond-mat/0602248	text	January 2006