Coagulation rate coefficient in colloidal systems: A hybrid stochastic-deterministic theory

2021 ◽  
Vol 232 ◽  
pp. 116289
Author(s):  
Jorge Herrera-Ordonez ◽  
Magali Cuatecontzi ◽  
Shirley Carro
Keyword(s):  
Rate Coefficient ◽  
Colloidal Systems ◽  
Coagulation Rate ◽  
Deterministic Theory

Fast Coagulation Rate Coefficient

2016 ◽  
Author(s):  
Stanislaw Slomkowski ◽  
José V. Alemán ◽  
Robert G. Gilbert ◽  
Michael Hess ◽  
Kazuyuki Horie ◽  
...  
Keyword(s):  
Rate Coefficient ◽  
Coagulation Rate ◽  
Fast Coagulation

Slow Coagulation Rate Coefficient

2016 ◽  
Author(s):  
Stanislaw Slomkowski ◽  
José V. Alemán ◽  
Robert G. Gilbert ◽  
Michael Hess ◽  
Kazuyuki Horie ◽  
...  
Keyword(s):  
Rate Coefficient ◽  
Coagulation Rate ◽  
Slow Coagulation

Colloidal systems in soils

1994 ◽  
Vol 52 ◽  
pp. 64-65
Author(s):  
J. Thieme ◽  
J. Niemeyer ◽  
P. Guttman
Keyword(s):  
Clay Minerals ◽  
Polymeric Materials ◽  
Spatial Arrangement ◽  
High Specific Surface Area ◽  
Turnover Rates ◽  
Colloidal Systems ◽  
Chemical Conditions ◽  
Aggregation Phenomena ◽  
Iron And Manganese ◽  
Soil Colloids

In soil science the fraction of colloids in soils is understood as particles with diameters smaller than 2μm. Clay minerals, aquoxides of iron and manganese, humic substances, and other polymeric materials are found in this fraction. The spatial arrangement (microstructure) is controlled by the substantial structure of the colloids, by the chemical composition of the soil solution, and by thesoil biota. This microstructure determines among other things the diffusive mass flow within the soils and as a result the availability of substances for chemical and microbiological reactions. The turnover of nutrients, the adsorption of toxicants and the weathering of soil clay minerals are examples of these surface mediated reactions. Due to their high specific surface area, the soil colloids are the most reactive species in this respect. Under the chemical conditions in soils, these minerals are associated in larger aggregates. The accessibility of reactive sites for these reactions on the surface of the colloids is reduced by this aggregation. To determine the turnover rates of chemicals within these aggregates it is highly desirable to visualize directly these aggregation phenomena.

scholarly journals Calculation of the ion–ion recombination rate coefficient via a hybrid continuum-molecular dynamics approach

2020 ◽  
Vol 152 (9) ◽  
pp. 094306 ◽  
Author(s):  
Tomoya Tamadate ◽  
Hidenori Higashi ◽  
Takafumi Seto ◽  
Christopher J. Hogan
Keyword(s):  
Molecular Dynamics ◽  
Recombination Rate ◽  
Rate Coefficient ◽  
Ion Recombination ◽  
Recombination Rate Coefficient

Disintegrating polymer multilayers to jump-start colloidal micromotors

Nanoscale ◽  
2019 ◽  
Vol 11 (2) ◽  
pp. 733-741 ◽  
Author(s):  
Marina Fernández-Medina ◽  
Xiaomin Qian ◽  
Ondrej Hovorka ◽  
Brigitte Städler
Keyword(s):  
Colloidal Systems ◽  
Autonomous Mobility

Colloidal systems with autonomous mobility are attractive alternatives to static particles for diverse applications.

scholarly journals Direct Kinetic Measurements and Master Equation Modelling of the Unimolecular Decomposition of Resonantly-Stabilized CH2CHCHC(O)OCH3 Radical and an Upper Limit Determination for CH2CHCHC(O)OCH3 + O2 Reaction

2020 ◽  
Vol 234 (7-9) ◽  
pp. 1251-1268 ◽  
Author(s):  
Satya Prakash Joshi ◽  
Prasenjit Seal ◽  
Timo Theodor Pekkanen ◽  
Raimo Sakari Timonen ◽  
Arrke J. Eskola
Keyword(s):  
Master Equation ◽  
Density Functional ◽  
Rate Coefficient ◽  
Decomposition Kinetics ◽  
Basis Sets ◽  
Stationary Points ◽  
Unimolecular Decomposition ◽  
Kinetic Measurements ◽  
Point Energy ◽  
Upper Limit

AbstractMethyl-Crotonate (MC, (E)-methylbut-2-enoate, CH3CHCHC(O)OCH3) is a potential component of surrogate fuels that aim to emulate the combustion of fatty acid methyl ester (FAME) biodiesels with significant unsaturated FAME content. MC has three allylic hydrogens that can be readily abstracted under autoignition and combustion conditions to form a resonantly-stabilized CH2CHCHC(O)OCH3 radical. In this study we have utilized photoionization mass spectrometry to investigate the O2 addition kinetics and thermal unimolecular decomposition of CH2CHCHC(O)OCH3 radical. First we determined an upper limit for the bimolecular rate coefficient of CH2CHCHC(O)OCH3 + O2 reaction at 600 K (k ≤ 7.5 × 10−17 cm3 molecule−1 s−1). Such a small rate coefficient suggest this reaction is unlikely to be important under combustion conditions and subsequent efforts were directed towards measuring thermal unimolecular decomposition kinetics of CH2CHCHC(O)OCH3 radical. These measurements were performed between 750 and 869 K temperatures at low pressures (<9 Torr) using both helium and nitrogen bath gases. The potential energy surface of the unimolecular decomposition reaction was probed at density functional (MN15/cc-pVTZ) level of theory and the electronic energies of the stationary points obtained were then refined using the DLPNO-CCSD(T) method with the cc-pVTZ and cc-pVQZ basis sets. Master equation simulations were subsequently carried out using MESMER code along the kinetically important reaction pathway. The master equation model was first optimized by fitting the zero-point energy corrected reaction barriers and the collisional energy transfer parameters $\Delta{E_{{\text{down}},\;{\text{ref}}}}$ and n to the measured rate coefficients data and then utilize the constrained model to extrapolate the decomposition kinetics to higher pressures and temperatures. Both the experimental results and the MESMER simulations show that the current experiments for the thermal unimolecular decomposition of CH2CHCHC(O)OCH3 radical are in the fall-off region. The experiments did not provide definite evidence about the primary decomposition products.

scholarly journals Tunable thermo-reversible bicontinuous nanoparticle gel driven by the binary solvent segregation

2021 ◽  
Vol 12 (1) ◽  
Author(s):  
Yuyin Xi ◽  
Ronald S. Lankone ◽  
Li-Piin Sung ◽  
Yun Liu
Keyword(s):  
Phase Separation ◽  
Domain Size ◽  
Binary Solvent ◽  
Colloidal Systems ◽  
Colloidal Assembly ◽  
Structures And Properties ◽  
Wide Range ◽  
Equilibrium Process ◽  
Equilibrium Structures ◽  
Non Equilibrium

AbstractBicontinuous porous structures through colloidal assembly realized by non-equilibrium process is crucial to various applications, including water treatment, catalysis and energy storage. However, as non-equilibrium structures are process-dependent, it is very challenging to simultaneously achieve reversibility, reproducibility, scalability, and tunability over material structures and properties. Here, a novel solvent segregation driven gel (SeedGel) is proposed and demonstrated to arrest bicontinuous structures with excellent thermal structural reversibility and reproducibility, tunable domain size, adjustable gel transition temperature, and amazing optical properties. It is achieved by trapping nanoparticles into one of the solvent domains upon the phase separation of the binary solvent. Due to the universality of the solvent driven particle phase separation, SeedGel is thus potentially a generic method for a wide range of colloidal systems.

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