Thermodynamics and kinetics of homogeneous crystal nucleation studied by computer simulation

2000 ◽  
Vol 62 (22) ◽  
pp. 14690-14702 ◽  
Author(s):  
H. E. A. Huitema ◽  
J. P. van der Eerden ◽  
J. J. M. Janssen ◽  
H. Human
Keyword(s):  
Computer Simulation ◽  
Crystal Nucleation ◽  
Thermodynamics And Kinetics ◽  
Homogeneous Crystal ◽  
Kinetics Of

Thermodynamic and Kinetic Properties of Grain Boundary Junctions

2012 ◽  
Vol 715-716 ◽  
pp. 243-250 ◽  
Author(s):  
Lasar S. Shvindlerman ◽  
Günter Gottstein
Keyword(s):  
Computer Simulation ◽  
Grain Boundary ◽  
Grain Boundaries ◽  
Kinetic Properties ◽  
Simulation Studies ◽  
Thermodynamics And Kinetics ◽  
Computer Simulation Studies ◽  
Kinetics Of

The results of recent experimental, theoretical and computer simulation studies of the thermodynamics and kinetics of grain boundaries and grain boundary junctions are presented and discussed.

scholarly journals New Insights into Crystallization of Heterophasic Isotactic Polypropylene by Fast Scanning Chip Calorimetry

Polymers ◽  
2020 ◽  
Vol 12 (8) ◽  
pp. 1683
Author(s):  
Daniela Mileva ◽  
Jingbo Wang ◽  
Markus Gahleitner ◽  
Katalee Jariyavidyanont ◽  
René Androsch
Keyword(s):  
Crystallization Kinetics ◽  
Isotactic Polypropylene ◽  
Crystallization Rate ◽  
Crystal Nucleation ◽  
Crystallization Time ◽  
Chip Calorimetry ◽  
The Matrix ◽  
Homogeneous Crystal ◽  
Kinetics Of ◽  
Fast Scanning Chip Calorimetry

The crystallization kinetics of metallocene-catalyzed heterophasic isotactic polypropylene composed of a matrix of isotactic polypropylene (iPP) and rubbery particles made of random ethylene–propylene copolymers (EPC), often denoted as heterophasic iPP copolymers, was analyzed as a function of the cooling rate and supercooling in nonisothermal and isothermal crystallization experiments, respectively. Fast scanning chip calorimetry (FSC) allowed assessing crystallization at processing-relevant conditions, and variation of the content (0–39 wt %) and composition (0–35 wt % propylene counits) of the EPC particles revealed qualitatively new insight about mechanisms of heterogeneous crystal nucleation. For neat iPP homopolymer, the characteristic bimodal temperature dependence of the crystallization rate due to predominance of heterogeneous and homogeneous crystal nucleation at high and low temperatures, respectively, is reconfirmed. At high temperatures, in heterophasic iPP, the here studied ethylene-(C2)-rich EPC particles accelerate crystallization of the iPP-matrix, with the acceleration or nucleation efficacy correlating with the EPC-particle content. The crystallization time reduces by more than half in presence of 39 wt % EPC particles. An additional nucleating effect of the EPC particles on iPP-matrix crystallization is detected after their crystallization, suggesting that liquid/rubbery particles are less effective than solid/semicrystalline particles in affecting crystallization of the surrounding iPP-matrix. At low temperature, homogeneous crystal nucleation in the iPP-matrix outpaces all heterogeneous nucleation effects, and the matrix-crystallization rate is independent of the sample composition. The obtained results lead to the conclusion that the crystallization kinetics of iPP can be affected significantly by the content and composition of EPC particles, even towards superfast crystallizing iPP grades.

Irradiation behavior of pyrolytic silicon carbide

1983 ◽  
Vol 41 ◽  
pp. 72-73
Author(s):  
R. J. Lauf
Keyword(s):  
Silicon Carbide ◽  
Fission Products ◽  
Thermodynamics And Kinetics ◽  
Neutron Fluences ◽  
Fuel Particles ◽  
Sic Coatings ◽  
Irradiation Behavior ◽  
Kinetics Of ◽  
Htgr Fuel

Fuel particles for the High-Temperature Gas-Cooled Reactor (HTGR) contain a layer of pyrolytic silicon carbide to act as a miniature pressure vessel and primary fission product barrier. Optimization of the SiC with respect to fuel performance involves four areas of study: (a) characterization of as-deposited SiC coatings; (b) thermodynamics and kinetics of chemical reactions between SiC and fission products; (c) irradiation behavior of SiC in the absence of fission products; and (d) combined effects of irradiation and fission products. This paper reports the behavior of SiC deposited on inert microspheres and irradiated to fast neutron fluences typical of HTGR fuel at end-of-life.

Thermodynamics and kinetics of hydriding of the Zr(Ni0.75V0.25)2 laves phase

2004 ◽  
Vol 29 (2) ◽  
pp. 1-9
Author(s):  
Mustapha Boulghallat ◽  
Ahmed Jouaiti ◽  
Norbert Gérard
Keyword(s):  
Laves Phase ◽  
Thermodynamics And Kinetics ◽  
Kinetics Of

Submerged upflow biotower operation and computer simulation

1994 ◽  
Vol 30 (11) ◽  
pp. 143-146
Author(s):  
Ronald D. Neufeld ◽  
Christopher A. Badali ◽  
Dennis Powers ◽  
Christopher Carson
Keyword(s):  
Computer Simulation ◽  
Benzoic Acid ◽  
Computer Model ◽  
Rate Constants ◽  
Batch Mode ◽  
Operational Conditions ◽  
First Order ◽  
Low Concentrations ◽  
Biological Transformation ◽  
Kinetics Of

A two step operation is proposed for the biodegradation of low concentrations (< 10 mg/L) of BETX substances in an up flow submerged biotower configuration. Step 1 involves growth of a lush biofilm using benzoic acid in a batch mode. Step 2 involves a longer term biological transformation of BETX. Kinetics of biotransformations are modeled using first order assumptions, with rate constants being a function of benzoic acid dosages used in Step 1. A calibrated computer model is developed and presented to predict the degree of transformation and biomass level throughout the tower under a variety of inlet and design operational conditions.

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