A chemical potential equalization method for molecular simulations

1996 ◽  
Vol 104 (1) ◽  
pp. 159-172 ◽  
Author(s):  
Darrin M. York ◽  
Weitao Yang
Keyword(s):  
Chemical Potential ◽  
Molecular Simulations ◽  
Equalization Method

scholarly journals Excess chemical potential of thiophene in [C4MIM] [BF4, Cl, Br, CH3COO] ionic liquids, determined by molecular simulations

RSC Advances ◽  
2021 ◽  
Vol 11 (47) ◽  
pp. 29394-29406
Author(s):  
Marco V. Velarde-Salcedo ◽  
Joel Sánchez-Badillo ◽  
Marco Gallo ◽  
Jorge López-Lemus
Keyword(s):  
Ionic Liquids ◽  
Chemical Potential ◽  
Molecular Simulations ◽  
Excess Chemical Potential

Excess chemical potential of thiophene in imidazolium-based ionic liquids [C4mim][BF4], [C4mim][Cl], [C4mim][Br], and [C4mim][CH3COO] determined by molecular simulations.

Molecular Simulations of the Pressure, Temperature, and Chemical Potential Dependencies of Clay Swelling†

2006 ◽  
Vol 110 (40) ◽  
pp. 20046-20054 ◽  
Author(s):  
David E. Smith ◽  
Yu Wang ◽  
A. Chaturvedi ◽  
Heather D. Whitley
Keyword(s):  
Chemical Potential ◽  
Molecular Simulations ◽  
Clay Swelling

Calculation of optical spectra in liquid methanol using molecular dynamics and the chemical potential equalization method

1999 ◽  
Vol 111 (9) ◽  
pp. 4218-4229 ◽  
Author(s):  
Riccardo Chelli ◽  
Sonia Ciabatti ◽  
Gianni Cardini ◽  
Roberto Righini ◽  
Piero Procacci
Keyword(s):  
Molecular Dynamics ◽  
Chemical Potential ◽  
Optical Spectra ◽  
Equalization Method

Chemical potential and dimensions of chain molecules in athermal environments

1996 ◽  
Vol 89 (6) ◽  
pp. 1733-1754 ◽  
Author(s):  
FERNANDO ESCOBEDO ◽  
JUAN DE PABLO
Keyword(s):  
Chemical Potential ◽  
Chain Molecules

Growth Kinetics of Quantum Size ZnO Particles

1998 ◽  
Vol 536 ◽  
Author(s):  
E. M. Wong ◽  
J. E. Bonevich ◽  
P. C. Searson
Keyword(s):  
Growth Kinetics ◽  
Ostwald Ripening ◽  
Chemical Potential ◽  
Colloidal Suspensions ◽  
Green Emission ◽  
Blue Shift ◽  
Constant Current ◽  
Mass Model ◽  
Zno Particles ◽  
Kinetics Of

AbstractColloidal chemistry techniques were used to synthesize ZnO particles in the nanometer size regime. The particle aging kinetics were determined by monitoring the optical band edge absorption and using the effective mass model to approximate the particle size as a function of time. We show that the growth kinetics of the ZnO particles follow the Lifshitz, Slyozov, Wagner theory for Ostwald ripening. In this model, the higher curvature and hence chemical potential of smaller particles provides a driving force for dissolution. The larger particles continue to grow by diffusion limited transport of species dissolved in solution. Thin films were fabricated by constant current electrophoretic deposition (EPD) of the ZnO quantum particles from these colloidal suspensions. All the films exhibited a blue shift relative to the characteristic green emission associated with bulk ZnO. The optical characteristics of the particles in the colloidal suspensions were found to translate to the films.

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