Effective Interaction Parameters of Star/Star, Ring/Ring, and Ring/Linear Chemically Identical Blends

2004 ◽  
Vol 37 (24) ◽  
pp. 9184-9190 ◽  
Author(s):  
Costas Vlahos ◽  
Marios Kosmas
Keyword(s):  
Effective Interaction ◽  
Interaction Parameters

Two- and three-body effective electrostatic interactions in odd configurations of the iron group

1982 ◽  
Vol 60 (9) ◽  
pp. 1223-1236
Author(s):  
C. Roth
Keyword(s):  
Electrostatic Interactions ◽  
Effective Interaction ◽  
Interaction Parameters ◽  
Iron Group ◽  
Effective Interactions ◽  
A Value ◽  
Three Body ◽  
Independent Parameters

Expressions for the two- and three-body effective interactions in the configurations l″ and l″l′ were obtained, and then specialized for the case of the odd configurations in the iron group with l having a value of 2 and l′ a value of 1.There are four independent effective interaction parameters for the configuration d″. For the configuration d″p it was shown that there are 2 independent parameters for the two-body effective interactions, and 11 independent parameters for the three-body effective interactions.The results are being utilized in general investigtions for the odd configurations (3d + 4s)″4p in the iron group, and subsequently for the odd configurations in the palladium and platinum groups.

scholarly journals Coupling of Charge Regulation and Conformational Equilibria in Linear Weak Polyelectrolytes: Treatment of Long-Range Interactions via Effective Short-Ranged and pH-Dependent Interaction Parameters

Polymers ◽  
2018 ◽  
Vol 10 (8) ◽  
pp. 811 ◽  
Author(s):  
Pablo Blanco ◽  
Sergio Madurga ◽  
Francesc Mas ◽  
Josep Garcés
Keyword(s):  
Long Range ◽  
Ph Dependence ◽  
Effective Interaction ◽  
Interaction Parameters ◽  
Computational Time ◽  
Physical Parameters ◽  
Wide Range ◽  
Conformational Equilibria ◽  
Ph Dependent ◽  
Weak Polyelectrolytes

The classical Rotational Isomeric State (RIS) model, originally proposed by Flory, has been used to rationalize a wide range of physicochemical properties of neutral polymers. However, many weak polyelectrolytes of interest are able to regulate their charge depending on the conformational state of the bonds. Recently, it has been shown that the RIS model can be coupled with the Site Binding (SB) model, for which the ionizable sites can adopt two states: protonated or deprotonated. The resulting combined scheme, the SBRIS model, allows for analyzing ionization and conformational equilibria on the same foot. In the present work, this approach is extended to include pH-dependent electrostatic Long-Range (LR) interactions, ubiquitous in weak polyelectrolytes at moderate and low ionic strengths. With this aim, the original LR interactions are taken into account by defining effective Short-Range (SR) and pH-dependent parameters, such as effective microscopic protonation constants and rotational bond energies. The new parameters are systematically calculated using variational methods. The machinery of statistical mechanics for SR interactions, including the powerful and fast transfer matrix methods, can then be applied. The resulting technique, which we will refer to as the Local Effective Interaction Parameters (LEIP) method, is illustrated with a minimal model of a flexible linear polyelectrolyte containing only one type of rotating bond. LEIP reproduces very well the pH dependence of the degree of protonation and bond probabilities obtained by semi-grand canonical Monte Carlo simulations, where LR interactions are explicitly taken into account. The reduction in the computational time in several orders of magnitude suggests that the LEIP technique could be useful in a range of areas involving linear weak polyelectrolytes, allowing direct fitting of the relevant physical parameters to the experimental quantities.

scholarly journals Coupling of Charge Regulation and Conformational Equilibria in Linear Weak Polyelectrolytes: Treatment of Long Range Interactions via Effective Short-Ranged and pH-Dependent Interaction Parameters

2018 ◽  
Author(s):  
Pablo M. Blanco ◽  
Sergio Madurga ◽  
Francesc Mas ◽  
Josep L. Garcés
Keyword(s):  
Long Range ◽  
Ph Dependence ◽  
Effective Interaction ◽  
Interaction Parameters ◽  
Computational Time ◽  
Charge Regulation ◽  
Wide Range ◽  
Conformational Equilibria ◽  
Ph Dependent ◽  
Weak Polyelectrolytes

The classical Rotational Isomeric State (RIS) model, originally proposed by Flory, has been used to rationalize a wide range of physicochemical properties of neutral polymers. However, many weak polyelectrolytes of interest are able to regulate their charge depending on the conformational state of the bonds. Recently, it has been shown that the RIS model can be coupled with the Site Binding (SB) model, for which the ionizable sites can adopt two states: protonated or deprotonated. The resulting combined scheme, the SBRIS model, allows to analyse ionization and conformational equilibria on the same foot. In the present work this approach is extended to include pH-dependent electrostatic Long Range (LR) interactions, ubiquitous in weak polyelectrolytes at moderate and low ionic strengths. With this aim the original LR interactions are taken into account by defining effective Short Range (SR) and pH-dependent parameters, such as effective microscopic protonation constants and rotational bond energies. The new parameters are systematically calculated using variational methods. The machinery of statistical mechanics for SR interactions, including the powerful and fast transfer matrix methods, can then be applied. The resulting technique, to which we will refer as Local Effective Interaction Parameters (LEIP) method, is illustrated with a minimal model of a flexible linear polyelectrolyte containing only one type of rotating bonds. LEIP reproduces very well the pH dependence of the degree of protonation and bond probabilities obtained by semi-grand canonical Monte Carlo simulations, where LR interactions are taken explicitly into account. The reduction in the computational time in several orders of magnitude suggests that the LEIP technique could be useful in a range of areas involving linear weak polyelectrolytes, allowing direct fitting of the relevant physical parameters to the experimental quantities.

TEMPERATURE DEPENDENCE OF THE EFFECTIVE INTERACTION IN NUCLEAR MATTER

1987 ◽  
Vol 48 (C2) ◽  
pp. C2-301-C2-304
Author(s):  
M. BALDO ◽  
G. GIANSIRACUSA ◽  
U. LOMBARDO
Keyword(s):  
Nuclear Matter ◽  
Temperature Dependence ◽  
Effective Interaction

MEDIA SOCIALIZATION OF PERSONALITY IN THE CONTEXT OF INMUTATION IN THE MASS MEDIA

2021 ◽  
pp. 104-109
Author(s):  
Chernysh O.O.
Keyword(s):  
Mass Media ◽  
Negative Impact ◽  
Effective Interaction ◽  
Individual Characteristics ◽  
Media Culture ◽  
Active Growth ◽  
Media Space ◽  
The Media ◽  
The Individual

The urgency of the researched problem is connected with the growing role of mass media in modern conditions leads to change of values and transformation of identity of the person. The active growth of the role of the media, their influence on the formation and development of personality leads to the concept of “media socialization” and immutation in the media. The aim of the study is to outline the possibilities of the process of media socialization in the context of immutation in the media. The methods of our research are: analysis of pedagogical, psychological, literature, synthesis, comparison, generalization. The article analyzes the views of domestic and foreign scientists on the problem of immutation in the media and the transformation of the information space. In the context of the mass nature of the immutation of society, the concept of “media socialization” becomes relevant, which is the basis for reducing the negative impact of the media on the individual.The author identifies the lack of a thorough study of the concept of “media socialization” in modern scientific thought. Thus, media socialization is associated with the transformation of traditional means of socialization, and is to assimilate and reproduce the social experience of mankind with the help of new media.The article analyzes the essence of the concepts “media space”, “mass media” and “immutation”. The influence of mass media on the formation and development of the modern personality is described in detail.The study concluded that it is necessary to form a media culture of the individual, to establish safe and effective interaction of young people with the modern media system, the formation of media awareness, media literacy and media competence in accordance with age and individual characteristics for successful media socialization. The role of state bodies in solving the problem of media socialization of the individual was also determined. It is determined that the process of formation of media culture in youth should take place at the level of traditional institutions of socialization of the individual.The author sees the prospect of further research in a detailed analysis and study of the potential of educational institutions as an institution and a means of counteracting the mass nature of the immutation of society.Key words: immutation, media socialization, mass media, media space, information.

Sign in / Sign up

Export Citation Format

Share Document