Lattice cluster theory for phase behavior of rectangular mesogens

1994 ◽  
Vol 101 (1) ◽  
pp. 519-532 ◽  
Author(s):  
Wenshuo Li ◽  
Karl F. Freed
Keyword(s):  
Phase Behavior ◽  
Cluster Theory

Phase behavior of cationic and anionic surfactants at low concentrations

1992 ◽  
Vol 50 (1) ◽  
pp. 694-695
Author(s):  
E. Naranjo
Keyword(s):  
Phase Behavior ◽  
Structural Characterization ◽  
Dynamic Systems ◽  
Anionic Surfactants ◽  
Intermolecular Forces ◽  
Stable Form ◽  
Surfactant Mixtures ◽  
Low Concentrations ◽  
Cationic And Anionic Surfactants ◽  
General Method

Equilibrium vesicles, those which are the stable form of aggregation and form spontaneously on mixing surfactant with water, have never been demonstrated in single component bilayers and only rarely in lipid or surfactant mixtures. Designing a simple and general method for producing spontaneous and stable vesicles depends on a better understanding of the thermodynamics of aggregation, the interplay of intermolecular forces in surfactants, and an efficient way of doing structural characterization in dynamic systems.

Solution Properties and Phase Behavior of Ammonium Hexylene Octyl Succinate in Water and Water-Oil System

1970 ◽  
Vol 3 (1) ◽  
Author(s):  
Md. Hamidul Kabir ◽  
Ravshan Makhkamov ◽  
Shaila Kabir
Keyword(s):  
Critical Micelle Concentration ◽  
Phase Behavior ◽  
Liquid Crystalline ◽  
Carbon Number ◽  
Phase Region ◽  
Solution Properties ◽  
Middle Phase ◽  
Two Phase ◽  
Lamellar Liquid Crystal ◽  
Drug Ingredient

The solution properties and phase behavior of ammonium hexylene octyl succinate (HOS) was investigated in water and water-oil system. The critical micelle concentration (CMC) of HOS is lower than that of anionic surfactants having same carbon number in the lipophilic part. The phase diagrams of a water/ HOS system and water/ HOS/ C10EO8/ dodecane system were also constructed. Above critical micelle concentration, the surfactant forms a normal micellar solution (Wm) at a low surfactant concentration whereas a lamellar liquid crystalline phase (La) dominates over a wide region through the formation of a two-phase region (La+W) in the binary system. The lamellar phase is arranged in the form of a biocompatible vesicle which is very significant for the drug delivery system. The surfactant tends to be hydrophilic when it is mixed with C10EO8 and a middle-phase microemulsion (D) is appeared in the water-surfactant-dodecane system where both the water and oil soluble drug ingredient can be incorporated in the form of a dispersion. Hence, mixing can tune the hydrophile-lipophile properties of the surfactant. Key words: Ammonium hexylene octyl succinate, mixed surfactant, lamellar liquid crystal, middle-phase microemulsion. Dhaka Univ. J. Pharm. Sci. Vol.3(1-2) 2004 The full text is of this article is available at the Dhaka Univ. J. Pharm. Sci. website

Excitonic Coupled-cluster Theory: Part I, General Formalism

2017 ◽  
Author(s):  
Yuhong Liu ◽  
Anthony Dutoi
Keyword(s):  
Electron Correlation ◽  
Degrees Of Freedom ◽  
Model Systems ◽  
Coupled Cluster ◽  
Effective Hamiltonian ◽  
Coupled Cluster Theory ◽  
Cluster Theory ◽  
Companion Article ◽  
High Level ◽  
Fragment Interaction

<div> <div>A shortcoming of presently available fragment-based methods is that electron correlation (if included) is described at the level of individual electrons, resulting in many redundant evaluations of the electronic relaxations associated with any given fluctuation. A generalized variant of coupled-cluster (CC) theory is described, wherein the degrees of freedom are fluctuations of fragments between internally correlated states. The effects of intra-fragment correlation on the inter-fragment interaction is pre-computed and permanently folded into the effective Hamiltonian. This article provides a high-level description of the CC variant, establishing some useful notation, and it demonstrates the advantage of the proposed paradigm numerically on model systems. A companion article shows that the electronic Hamiltonian of real systems may always be cast in the form demanded. This framework opens a promising path to build finely tunable systematically improvable methods to capture precise properties of systems interacting with a large number of other systems. </div> </div>

Excitonic Coupled-cluster Theory: Part I, General Formalism

2017 ◽  
Author(s):  
Yuhong Liu ◽  
Anthony Dutoi
Keyword(s):  
Electron Correlation ◽  
Degrees Of Freedom ◽  
Model Systems ◽  
Coupled Cluster ◽  
Effective Hamiltonian ◽  
Coupled Cluster Theory ◽  
Cluster Theory ◽  
Companion Article ◽  
High Level ◽  
Fragment Interaction

<div> <div>A shortcoming of presently available fragment-based methods is that electron correlation (if included) is described at the level of individual electrons, resulting in many redundant evaluations of the electronic relaxations associated with any given fluctuation. A generalized variant of coupled-cluster (CC) theory is described, wherein the degrees of freedom are fluctuations of fragments between internally correlated states. The effects of intra-fragment correlation on the inter-fragment interaction is pre-computed and permanently folded into the effective Hamiltonian. This article provides a high-level description of the CC variant, establishing some useful notation, and it demonstrates the advantage of the proposed paradigm numerically on model systems. A companion article shows that the electronic Hamiltonian of real systems may always be cast in the form demanded. This framework opens a promising path to build finely tunable systematically improvable methods to capture precise properties of systems interacting with a large number of other systems. </div> </div>

PHASE BEHAVIOR OF WATER FROM NATURAL GAS

2018 ◽  
Vol 17 (12) ◽  
pp. 2889-2894 ◽  
Author(s):  
Cristian Eparu ◽  
Sorin Neacsu ◽  
Alina Prundurel
Keyword(s):  
Natural Gas ◽  
Phase Behavior
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