... the interfacial tensions as well as other rheological properties involved in the kinetics ofd... more ... the interfacial tensions as well as other rheological properties involved in the kinetics ofdissociation, and the ... The average chemi-cal potential for water may thus be a constant value throughout the system ... the water surface will have a high energy due to the low attraction in the ...
We applied the techniques of Molecular Dynamics (MD) to study the structural and dynamic properti... more We applied the techniques of Molecular Dynamics (MD) to study the structural and dynamic properties of a stable interface between CO2 hydrate and aqueous solution. The steady-state interface thickness was evaluated from a set of criteria, with the decay of hydrogen signature being the leading one. Applying the criteria has yielded an interface width of about 10 Å.
In this paper, a generalization of the Cahn-Hilliard theory of binary liquids is presented for mu... more In this paper, a generalization of the Cahn-Hilliard theory of binary liquids is presented for multicomponent incompressible liquid mixtures. First, a thermodynamically consistent convection-diffusion-type dynamics is derived on the basis of the Lagrange multiplier formalism. Next, a generalization of the binary Cahn-Hilliard free-energy functional is presented for an arbitrary number of components, offering the utilization of independent pairwise equilibrium interfacial properties. We show that the equilibrium two-component interfaces minimize the functional, and we demonstrate that the energy penalization for multicomponent states increases strictly monotonously as a function of the number of components being present. We validate the model via equilibrium contact angle calculations in ternary and quaternary (four-component) systems. Simulations addressing liquid-flow-assisted spinodal decomposition in these systems are also presented.
... the interfacial tensions as well as other rheological properties involved in the kinetics ofd... more ... the interfacial tensions as well as other rheological properties involved in the kinetics ofdissociation, and the ... The average chemi-cal potential for water may thus be a constant value throughout the system ... the water surface will have a high energy due to the low attraction in the ...
We applied the techniques of Molecular Dynamics (MD) to study the structural and dynamic properti... more We applied the techniques of Molecular Dynamics (MD) to study the structural and dynamic properties of a stable interface between CO2 hydrate and aqueous solution. The steady-state interface thickness was evaluated from a set of criteria, with the decay of hydrogen signature being the leading one. Applying the criteria has yielded an interface width of about 10 Å.
In this paper, a generalization of the Cahn-Hilliard theory of binary liquids is presented for mu... more In this paper, a generalization of the Cahn-Hilliard theory of binary liquids is presented for multicomponent incompressible liquid mixtures. First, a thermodynamically consistent convection-diffusion-type dynamics is derived on the basis of the Lagrange multiplier formalism. Next, a generalization of the binary Cahn-Hilliard free-energy functional is presented for an arbitrary number of components, offering the utilization of independent pairwise equilibrium interfacial properties. We show that the equilibrium two-component interfaces minimize the functional, and we demonstrate that the energy penalization for multicomponent states increases strictly monotonously as a function of the number of components being present. We validate the model via equilibrium contact angle calculations in ternary and quaternary (four-component) systems. Simulations addressing liquid-flow-assisted spinodal decomposition in these systems are also presented.
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Papers by Bjørn Kvamme