Owing to their inherent softness, long flexible polymers may exhibit nonequilibrium responses upon manipulations. We attempt to analyze such processes based on the “interface” description associated with the tension propagation. Two illustrative examples, i.e., the dynamics of stretching and its reverse (shrinkage) process, are presented along with the basic formulation.
{"title":"Nonequilibrium Dynamics of a Manipulated Polymer: Stretching and Relaxation","authors":"T. Sakaue","doi":"10.1063/1.2897847","DOIUrl":"https://doi.org/10.1063/1.2897847","url":null,"abstract":"Owing to their inherent softness, long flexible polymers may exhibit nonequilibrium responses upon manipulations. We attempt to analyze such processes based on the “interface” description associated with the tension propagation. Two illustrative examples, i.e., the dynamics of stretching and its reverse (shrinkage) process, are presented along with the basic formulation.","PeriodicalId":46935,"journal":{"name":"Complex Systems","volume":null,"pages":null},"PeriodicalIF":1.2,"publicationDate":"2008-02-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1063/1.2897847","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"58348197","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Dendrimers, like unimolecular micelles, may encapsulate guest biomolecules (drug) and therefore are attractive candidates as carriers in drug delivery applications. Hydrophobic drugs can be complexed within the hydrophobic dendrimer interior to make them water‐soluble. The equilibrium partition of hydrophobic solutes into a dendrimer with hydrophobic interior from aqueous solutions is studied by dissipative particle dynamics. The drug is mainly distributed in the vicinity of the interface between hydrophobic interior and hydrophilic exterior within a dendrimer. The partition coefficient, which is defined as the concentration ratio of the drug distributed within dendrimer to aqueous phases, depends on the interaction between drug and hydrophilic dendrimer exterior. Increasing the repulsion between them reduces the solubilization ability associated with the dendrimer.
{"title":"Studies of Drug Delivery and Drug Release of Dendrimer by Dissipative Particle Dynamics","authors":"Chun-Min Lin, Yi-Fan Wu, H. Tsao, Yu-Jane Sheng","doi":"10.1063/1.2897851","DOIUrl":"https://doi.org/10.1063/1.2897851","url":null,"abstract":"Dendrimers, like unimolecular micelles, may encapsulate guest biomolecules (drug) and therefore are attractive candidates as carriers in drug delivery applications. Hydrophobic drugs can be complexed within the hydrophobic dendrimer interior to make them water‐soluble. The equilibrium partition of hydrophobic solutes into a dendrimer with hydrophobic interior from aqueous solutions is studied by dissipative particle dynamics. The drug is mainly distributed in the vicinity of the interface between hydrophobic interior and hydrophilic exterior within a dendrimer. The partition coefficient, which is defined as the concentration ratio of the drug distributed within dendrimer to aqueous phases, depends on the interaction between drug and hydrophilic dendrimer exterior. Increasing the repulsion between them reduces the solubilization ability associated with the dendrimer.","PeriodicalId":46935,"journal":{"name":"Complex Systems","volume":null,"pages":null},"PeriodicalIF":1.2,"publicationDate":"2008-02-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1063/1.2897851","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"58348212","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
J. Cartwright, B. Escribano, O. Piro, C. I. Sainz-Díaz, P. Sánchez, T. Sintes
Ice, the solid phase of water, is ubiquitous. A knowledge of ice helps us to comprehend water, a simple molecule, but one with much complex behaviour. Our aim is to understand the morphologies and physics of thin icy films. To treat this complex system we have developed new experimental capabilities with an environmental scanning electron microscope (ESEM) capable of working with ice films, at the same time as new simulation approaches to understanding the physics of ice morphology. A comprehension of the physics of thin‐film morphologies has applicability beyond ice to thin films of metals, ceramics, and other materials.
{"title":"Ice Film Morphologies and the Structure Zone Model","authors":"J. Cartwright, B. Escribano, O. Piro, C. I. Sainz-Díaz, P. Sánchez, T. Sintes","doi":"10.1063/1.2897880","DOIUrl":"https://doi.org/10.1063/1.2897880","url":null,"abstract":"Ice, the solid phase of water, is ubiquitous. A knowledge of ice helps us to comprehend water, a simple molecule, but one with much complex behaviour. Our aim is to understand the morphologies and physics of thin icy films. To treat this complex system we have developed new experimental capabilities with an environmental scanning electron microscope (ESEM) capable of working with ice films, at the same time as new simulation approaches to understanding the physics of ice morphology. A comprehension of the physics of thin‐film morphologies has applicability beyond ice to thin films of metals, ceramics, and other materials.","PeriodicalId":46935,"journal":{"name":"Complex Systems","volume":null,"pages":null},"PeriodicalIF":1.2,"publicationDate":"2008-02-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1063/1.2897880","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"58348275","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Monte Carlo simulation studies of reverse micelles of an anionic surfactant, sodium AOT, in a non‐polar solvent provide strong evidence that, in the absence of water, these clusters are charge ordered polyhedral shells. The stabilizing energy of these clusters is so large that the entropy of mixing is, in comparison, inconsequential and we predict that, if all waters of hydration could be removed (something not yet accomplished for the sodium salt) then AOT would be insoluble in nonpolar solvents.
{"title":"The Structure and Thermodynamic Stability of Reverse Micelles in Dry AOT/Alkane Mixtures","authors":"A. Wootton, Francois Picavez, P. Harrowell","doi":"10.1063/1.2897802","DOIUrl":"https://doi.org/10.1063/1.2897802","url":null,"abstract":"Monte Carlo simulation studies of reverse micelles of an anionic surfactant, sodium AOT, in a non‐polar solvent provide strong evidence that, in the absence of water, these clusters are charge ordered polyhedral shells. The stabilizing energy of these clusters is so large that the entropy of mixing is, in comparison, inconsequential and we predict that, if all waters of hydration could be removed (something not yet accomplished for the sodium salt) then AOT would be insoluble in nonpolar solvents.","PeriodicalId":46935,"journal":{"name":"Complex Systems","volume":null,"pages":null},"PeriodicalIF":1.2,"publicationDate":"2008-02-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1063/1.2897802","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"58347943","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
We performed Monte Carlo simulation of water/oil/ABA triblock amphiphiles with hydrophilic A and hydrophobic B, on a 51×51×51 simple cubic lattice with periodic boundary conditions in x‐ and y‐directions. Bond fluctuation model(BFM) was used to describe amphiphile, where excluded volume effect and flexible movement of polymer bonds are ascertained. The ratio of water to oil was changed from 10/85 to 50/45 with 5% fixed dilute amphiphiles. For small water/oil ratio, many cubic water clusters surrounded by loop‐shaped amphiphiles dispersed in oil and they were bridged between each other by bridge‐shaped amphiphiles. On the other hand, phase separation between water and oil plus amphiphiles clearly occurred for large water/oil ratio, where water formed one grid‐shaped cluster. At some intermediate water/oil ratio, water cells aggregated into two water clusters with shape of rectangular rod, spread in x‐ and y‐directions and separated in z‐direction by mainly loop‐shaped amphiphiles, where water clusters and ...
{"title":"Monte Carlo Simulation for Ternary System of Water/Oil/ABA Triblock Copolymers","authors":"N. Nakagawa, K. Ohno","doi":"10.1063/1.2897844","DOIUrl":"https://doi.org/10.1063/1.2897844","url":null,"abstract":"We performed Monte Carlo simulation of water/oil/ABA triblock amphiphiles with hydrophilic A and hydrophobic B, on a 51×51×51 simple cubic lattice with periodic boundary conditions in x‐ and y‐directions. Bond fluctuation model(BFM) was used to describe amphiphile, where excluded volume effect and flexible movement of polymer bonds are ascertained. The ratio of water to oil was changed from 10/85 to 50/45 with 5% fixed dilute amphiphiles. For small water/oil ratio, many cubic water clusters surrounded by loop‐shaped amphiphiles dispersed in oil and they were bridged between each other by bridge‐shaped amphiphiles. On the other hand, phase separation between water and oil plus amphiphiles clearly occurred for large water/oil ratio, where water formed one grid‐shaped cluster. At some intermediate water/oil ratio, water cells aggregated into two water clusters with shape of rectangular rod, spread in x‐ and y‐directions and separated in z‐direction by mainly loop‐shaped amphiphiles, where water clusters and ...","PeriodicalId":46935,"journal":{"name":"Complex Systems","volume":null,"pages":null},"PeriodicalIF":1.2,"publicationDate":"2008-02-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1063/1.2897844","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"58348172","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"The effect of asynchronous change on a complex system's behaviour","authors":"J. Mansfield","doi":"10.1117/12.638801","DOIUrl":"https://doi.org/10.1117/12.638801","url":null,"abstract":"","PeriodicalId":46935,"journal":{"name":"Complex Systems","volume":null,"pages":null},"PeriodicalIF":1.2,"publicationDate":"2005-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"63606103","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 1995-09-04DOI: 10.1007/3-540-61108-8_42
E. Lutton, J. L. Véhel, Guillaume Cretin, Philippe Glevarec, Cidric Roll
{"title":"Mixed IFS: Resolution of the Inverse Problem using Genetic Programming","authors":"E. Lutton, J. L. Véhel, Guillaume Cretin, Philippe Glevarec, Cidric Roll","doi":"10.1007/3-540-61108-8_42","DOIUrl":"https://doi.org/10.1007/3-540-61108-8_42","url":null,"abstract":"","PeriodicalId":46935,"journal":{"name":"Complex Systems","volume":null,"pages":null},"PeriodicalIF":1.2,"publicationDate":"1995-09-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"80029825","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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