Macromolecular Theory and Simulations

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April 09, 2014

TREND: "Heavy-Atom" Donor-Acceptor Conjugated Polymers

TREND: ''Heavy-Atom'' Donor-Acceptor Conjugated Polymers

Gregory L. Gibson and Dwight S. Seferos*

Donor-acceptor polymers containing "heavy" atoms below the first row of the periodic table are widely studied with an eye to organic electronics. These polymers demonstrate desirable optical and electronic properties, including high charge-carrier mobility. This article elucidates trends in heavy-atom polymer structure–property relationships by examining single atom substitutions in select donor–acceptor architectures.

Macromol. Chem. Phys., DOI: 10.1002/macp.201400042

More information on the invited Talent, Trend, and Highlight articles in Macromolecular Chemistry and Physics can be found here.

April 07, 2014

TALENT: Composing Well-Defined Stimulus-Responsive Materials Through Postpolymerization Modification Reactions

TALENT: Composing Well-Defined Stimulus-Responsive Materials Through Postpolymerization Modification Reactions

Peter J. Roth

Choosing the right building blocks is the key to designing novel smart materials. This article combines theoretical fundamentals of different types of stimulus-responsiveness, emphasizing lower and upper critical solution temperature (LCST and UCST) behavior, with a range of illustrations of postpolymerization modification reactions in order to provide guidance on how to compose well-defined smart polymers with tailored properties.

Macromol. Chem. Phys., DOI: 10.1002/macp.201400073

More information on the invited Talent, Trend, and Highlight articles in Macromolecular Chemistry and Physics can be found here.

April 07, 2014

TALENT: Two Non-covalent Methods to Decorate Nanoparticles with Block Copolymers

TALENT: Two Non-covalent Methods to Decorate Nanoparticles with Block Copolymers

Christophe Schatz

Two novel approaches of particle functionalization with block copolymers are introduced. The first method is based on the physical adsorption of a charged block copolymer with two adsorbing blocks. The second method consists of self-assembling a bilayer of amphiphilic block copolymer at the particle surface through a change of solvent polarity.

Macromol. Chem. Phys., DOI: 10.1002/macp.201300756

More information on the invited Talent, Trend, and Highlight articles in Macromolecular Chemistry and Physics can be found here.

April 07, 2014

TREND: Polysaccharide Biocatalysis: From Synthesizing Carbohydrate Standards to Establishing Characterization Methods

TREND: Polysaccharide Biocatalysis: From Synthesizing Carbohydrate Standards to Establishing Characterization Methods

Jelena Ciric, Dejan M. Petrovic and Katja Loos*

In vitro enzymatic synthesis is the future for polysaccharide production. By synthesizing and characterizing various polysaccharides with complicated structures, they are understood better and a much closer understanding of nature is reached. The characterization of widely used natural carbohydrates, such as starch and cellulose, can be improved after a detailed analysis of their enzymatically synthesized analogs. An overview of both enzymatic synthesis and various characterization techniques of polysaccharides is presented in this article.

Macromol. Chem. Phys., DOI: 10.1002/macp.201300801

More information on the invited Talent, Trend, and Highlight articles in Macromolecular Chemistry and Physics can be found here.

April 07, 2014

TREND: Recent Trends and Future Outlooks in the Field of Clay-Containing Polymer Nanocomposites

TREND: Recent Trends and Future Outlooks in the Field of Clay-Containing Polymer Nanocomposites

Suprakas Sinha Ray

This article highlights recent developments in academic and industrial research in the field of clay-containing polymer nanocomposites, including current commercial successes, providing a short overview on key research challenges, as well as future outlooks and open questions in the field.

Macromol. Chem. Phys., DOI: 10.1002/macp.201400069

More information on the invited Talent, Trend, and Highlight articles in Macromolecular Chemistry and Physics can be found here.

April 07, 2014

Functional Polymers: Synthesis and Photovoltaic Properties of a D–A Copolymer Based on the 2,3-Di(5-hexylthio­phen-2-yl)quinoxaline Acceptor Unit

Functional Polymers: Synthesis and Photovoltaic Properties of a D–A Copolymer Based on the 2,3-Di(5-hexylthio­phen-2-yl)quinoxaline Acceptor Unit

Kun Wang, Zhi-Guo Zhang, Qiang Fu,* and Yongfang Li*

A new D–A copolymer, PBDT-DTQx, based on the 2,3-di(5-hexylthiophen-2-yl)­quinoxaline (>DTQx) acceptor unit is designed and synthesized for application as a donor material in polymer solar cells (PSCs). The device based on PBDT-DTQx:PC70BM (1:2.5, w/w) with chloronaphthalene as a solvent additive displays a power conversion efficiency (PCE) of 3.15%. With methanol treatment, the PCE of the PSCs is further improved to 3.90%.

Macromol. Chem. Phys., DOI: 10.1002/macp.201300793

Other contributions to the special series on functional polymers can be found here.

February 19, 2014

TALENT: Facile One-Pot Synthesis of New Functional Polymers through Multicomponent Systems

TALENT: Facile One-Pot Synthesis of New Functional Polymers through Multicomponent Systems

Shiqi Wang, Changkui Fu, Yen Wei and Lei Tao*

One-pot strategies, which combine in situ monomer synthesis and controlled radical polymerization together, are applied into innovative functional polymer preparation. This methodology is simple, efficient, and versatile. In this talent article, most advances in one-pot synthesis strategies are summarized and their further applications are discussed.

Macromol. Chem. Phys., DOI: 10.1002/macp.201300738

More information on the invited Talent, Trend, and Highlight articles in Macromolecular Chemistry and Physics can be found here.

February 19, 2014

SENSORS: Monitoring Polymerization Kinetics in Microreactors by Confocal Raman Microscopy

SENSORS: Monitoring Polymerization Kinetics in Microreactors by Confocal Raman Microscopy

Arvind Kumar Yadav, Manfred Krell, Wolf-Dieter Hergeth, José Carlos de la Cal and María Jesús Barandiaran*

Use of confocal Raman microscopy to monitor kinetics of homogeneous and heterogeneous polymerizations in microreactors is being reported. The adequacy of the technique is demonstrated through several experiments performed at different residence time for solution and miniemulsion polymerizations. The method also allows getting the conversion evolution along the microreactor length by changing the position of the Raman microscope.

Macromol. React. Eng. DOI: 10.1002/mren.201300193

Other contributions to the article series on sensors, process control and modeling in polymer production can be found here.

February 19, 2014

Functional Polymers: Ordered Organic Nanostructures Fabricated from Anodic Alumina Oxide Templates for Organic Bulk-Heterojunction Photovoltaics

Functional Polymers: Ordered Organic Nanostructures Fabricated from Anodic Alumina Oxide Templates for Organic Bulk-Heterojunction Photovoltaics

Hui Wu, Junliang Yang,* Shilin Cao, Liulian Huang and Lihui Chen

The anodic aluminum oxide (AAO) template technique is a versatile and fascinating method for producing ordered organic nanostructures with controllable properties, showing potential applications in the fabrication of solution-based ordered bulk-heterojunction organic photo­voltaics with high performance.

Macromol. Chem. Phys., DOI: 10.1002/macp.201300766

Other contributions to the special series on functional polymers can be found here.

January 22, 2014

SENSORS: Filtrodynamics 2 - Effects of Particle Size and Filter Type on Trans-Filter Time-Dependent Pressure Signals

SENSORS: Filtrodynamics 2 - Effects of Particle Size and Filter Type on Trans-Filter Time-Dependent Pressure Signals

Marie Dufrechou, Emmanuel Mignard, Michael F. Drenski and Wayne F. Reed*

The filtrodynamic behavior of trans-filter time-dependent pressure signals is determined for membrane and frit filters using latex spheres of varying diameter D. An accretion model based on Darcy's law best describes the mechanism of membrane filters. Non-membrane metallic frits reveal a different mechanism and behavior of filtration that is better described by the "characteristic loading" model.

Macromol. React. Eng. DOI: 10.1002/mren.201300185

Other contributions to the article series on sensors, process control and modeling in polymer production can be found here.

January 07, 2014

TREND: Mechanism and Kinetics of Dithiobenzoate-Mediated RAFT Polymerization - Status of the Dilemma

TREND: Mechanism and Kinetics of Dithiobenzoate-Mediated RAFT Polymerization - Status of the Dilemma

Graeme Moad

Developments in the understanding of the mechanism and kinetics of dithiobenzoate-mediated reversible addition-fragmentation chain-transfer (RAFT) polymerization over the period 2006–2013 are critically assessed with specific reference to choice of reagents and polymerization conditions, reagent and product stability, side reactions and factors that may lead to retardation.

Macromol. Chem. Phys., DOI: 10.1002/macp.201300562

More information on the invited Talent, Trend, and Highlight articles in Macromolecular Chemistry and Physics can be found here.

January 03, 2014

Functional Polymers: Synthesis and Photovoltaic Characterization of Dithieno[3,2-b:2',3'-d]thiophene-Derived Narrow-Bandgap Polymers

Functional Polymers: Synthesis and Photovoltaic Characterization of Dithieno[3,2-b:2',3'-d]thiophene-Derived Narrow-Bandgap Polymers

Enwei Zhu, Bin Ni, Baofeng Zhao, Jiefeng Hai, Linyi Bian, Hongbin Wu, Weihua Tang*

Three dithieno[3,2-b:2',3'-d]thiophene-based narrow-bandgap polymers are developed. They have a bandgap of 1.75-1.87 eV. The best performing bulk-heterojunction (BHJ) solar cells contribute a power conversion efficiency of 0.73% by blending with (6,6)-phenyl-C61-butyric acid methyl ester (PC61BM).

Macromol. Chem. Phys., DOI: 10.1002/macp.201300669

Other contributions to the special series on functional polymers can be found here.

April 09, 2014
TREND: "Heavy-Atom" Donor-Acceptor Conjugated Polymers

April 07, 2014
TALENT: Composing Well-Defined Stimulus-Responsive Materials Through Postpolymerization Modification Reactions

April 07, 2014
TALENT: Two Non-covalent Methods to Decorate Nanoparticles with Block Copolymers

April 07, 2014
TREND: Polysaccharide Biocatalysis: From Synthesizing Carbohydrate Standards to Establishing Characterization Methods

April 07, 2014
TREND: Recent Trends and Future Outlooks in the Field of Clay-Containing Polymer Nanocomposites

April 07, 2014
Functional Polymers: Synthesis and Photovoltaic Properties of a D–A Copolymer Based on the 2,3-Di(5-hexylthio­phen-2-yl)quinoxaline Acceptor Unit

February 19, 2014
TALENT: Facile One-Pot Synthesis of New Functional Polymers through Multicomponent Systems

February 19, 2014
SENSORS: Monitoring Polymerization Kinetics in Microreactors by Confocal Raman Microscopy

February 19, 2014
Functional Polymers: Ordered Organic Nanostructures Fabricated from Anodic Alumina Oxide Templates for Organic Bulk-Heterojunction Photovoltaics

January 22, 2014
SENSORS: Filtrodynamics 2 - Effects of Particle Size and Filter Type on Trans-Filter Time-Dependent Pressure Signals

January 07, 2014
TREND: Mechanism and Kinetics of Dithiobenzoate-Mediated RAFT Polymerization - Status of the Dilemma

January 03, 2014
Functional Polymers: Synthesis and Photovoltaic Characterization of Dithieno[3,2-b:2',3'-d]thiophene-Derived Narrow-Bandgap Polymers

December 17, 2013
SENSORS: Robust Calorimetric Estimation of Semi-Continuous and Batch Emulsion Polymerization Systems with Covariance Estimation

November 20, 2013
POLYOLEFINS: Condensed Mode Cooling for Ethylene Polymerization: The Influence of the Heat of Sorption

March 21, 2011
POLYMER DESIGN: Kinetic Modeling as a Tool to Understand and Improve the Nitroxide Mediated Polymerization of Styrene

September 07, 2010
POLYMER DESIGN: Kinetic Simulations of Atom Transfer Radical Polymerization (ATRP) in Light of Chain Length Dependent Termination

June 23, 2010
POLYMER DESIGN: Describing the Structure of a Randomly Hyperbranched Polymer

December 22, 2009
POLYMER DESIGN: Kinetic Simulations of Reversible Chain Transfer Catalyzed Polymerization (RTCP): Guidelines to Optimum Molecular Weight Control

November 17, 2009
POLYMER DESIGN: Nitroxide-Mediated Radical Polymerization in Dispersed Systems: Compartmentalization and Nitroxide Partitioning

October 12, 2009
POLYMER DESIGN: Quantum-Chemical Modeling of Free-Radical Polymerization

September 24, 2009
POLYMER DESIGN: Optimum Reaction Conditions for the Synthesis of Macromonomers Via the High-Temperature Polymerization of Acrylates

September 16, 2009
POLYMER DESIGN: Kinetic Modeling of Nitroxide-Mediated Polymerization: Conditions for Living and Controlled Polymerization

September 15, 2009
POLYMER DESIGN: Special Article Series on 'Modeling for Polymer Design'

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