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The dependence of the lower critical solution temperature (LCST) of charged, thermosensitive copolymers on their charge fraction and the salt concentration is investigated by employing systematic cloud-point experiments and analytical…

Soft Condensed Matter · Physics 2015-06-17 Jan Heyda , Sebastian Soll , Jiayin Yuan , Joachim Dzubiella

Poly-N-isopropylacrylamide (PNIPAM) is a thermoresponsive polymer, an essential building block of a large family of soft smart materials. In neat water it undergoes upon heating at $\approx$305K a phase transition from swollen to collapsed…

Chemical Physics · Physics 2018-06-15 Vladimir Palivec , Denis Zadrazil , Jan Heyda

By means of atomistic molecular dynamics simulations we investigate the behaviour of poly(N-isopropylacrylamide), PNIPAM, in water at temperatures below and above the lower critical solution temperature (LCST), including the undercooled…

Soft Condensed Matter · Physics 2019-02-11 L. Tavagnacco , E. Zaccarelli , E. Chiessi

Temperature-sensitive hydrogels based on polymers such as poly(N-isopropylacrylamide) (PNIPAM) undergo a volume phase transition in response to changes in temperature. During this transition, distinct changes in both thermal and mechanical…

Soft Condensed Matter · Physics 2017-07-19 Frank J. Aangenendt , Johan Mattsson , Wouter G. Ellenbroek , Hans M. Wyss

Thermoresponsive polymer architectures have become integral building blocks of 'smart' functional materials in modern applications. For a large range of developments, e.g., for drug delivery or nanocatalytic carrier systems, the selective…

Soft Condensed Matter · Physics 2017-04-05 Matej Kanduc , Richard Chudoba , Karol Palczynski , Won Kyu Kim , Rafael Roa , Joachim Dzubiella

We synthesize thermoresponsive poly(N-isopropylacrylamide) (PNIPAM) colloidal microgel particles of different stiffnesses by controlling the concentration of crosslinker in a one-pot synthesis method. We employ oscillatory rheology and…

Soft Condensed Matter · Physics 2024-02-12 Chandeshwar Misra , Sanjay Kumar Behera , Sonali Vasant Kawale , Ranjini Bandyopadhyay

A recently proposed method for computer simulations in the isothermal-isobaric (NPT) ensemble, based on Langevin-type equations of motion for the particle coordinates and the ``piston'' degree of freedom, is re-derived by straightforward…

Soft Condensed Matter · Physics 2016-08-31 A. Kolb , B. Duenweg

Heat management in devices is a key to their efficiency and longevity. Here, thermal switches (TS) are of great importance because of their ability to transition between different thermal conductivity $\kappa$ states. While traditional TS…

Soft Condensed Matter · Physics 2024-10-23 Mokter M. Chowdhury , Robinson Cortes-Huerto , Debashish Mukherji

Soft matter materials and polymers are widely used in the controlled delivery of drugs. Simulation and modeling provide insight at the atomic scale enabling a level of control unavailable to experiments. We present a workflow protocol for…

Soft Condensed Matter · Physics 2022-03-08 James P. Andrews , Estela Blaisten-Barojas

Solid-state nanopore gating inspired by biological ion channels is gaining increasing traction due to a large range of applications in biosensing and drug delivery. Integration of stimuli-responsive molecules such as…

Discovering and optimizing commercially viable materials for clean energy applications typically takes over a decade. Self-driving laboratories that iteratively design, execute, and learn from material science experiments in a fully…

Solution-processed electrochromic materials offer high potential for energy-efficient smart windows and displays. Their performance varies with material choice and processing conditions. Electrochromic thin film electrodes require a smooth,…

Cold-chain storage limits access to insulin for hundreds of millions of people; a thermally protective patch polymer could help, but the design space is too large for exhaustive experiment. Starting from that problem, we narrow to an…

Quantitative Methods · Quantitative Biology 2026-05-20 Martins Otun

We study the lower critical solution temperature (LCST) in thermoresponsive polymer solutions by means of a coarse grained single polymer chain simulation and a theoretical approach. The simulation model includes solvent explicitly and thus…

Soft Condensed Matter · Physics 2016-11-30 G. Swaminath Bharadwaj , P. B. Sunil Kumar , Shigeyuki Komura , Abhijit P. Deshpande

The development of porous polymeric membranes remains a labor-intensive process, often requiring extensive trial and error to identify optimal fabrication parameters. In this study, we present a fully automated platform for membrane…

Stimuli-responsive lyogels are considered to be smart materials due to their capability of undergoing significant macroscopic changes in response to external triggers. Due to their versatile and unique properties, smart lyogels exhibit…

Soft Condensed Matter · Physics 2024-08-21 Kathrin Marina Eckert , Simon Müller , Gerrit A. Luinstra , Irina Smirnova

Poly(N-isopropylacrylamide) (PNIPAM) is a synthetic polymer that is widely studied for its thermoresponsive character. However, recent works also reported evidence of a low temperature (protein-like) dynamical transition around 225 K in…

Polymers are attractive in applications like flexible electronics and thermal interface materials due to their mechanical compliance and processability. However, conventional polymers have low thermal conductivity (TC), limiting their heat…

Materials Science · Physics 2026-03-25 Yuhan Liu , Jiaxin Xu , Renzheng Zhang , Meng Jiang , Tengfei Luo

We consider a functional surface comprising thermoresponsive polymer chains, the material that has found numerous technological and biomedical applications. However, to achieve the required time and length scales for computer modelling of…

Soft Condensed Matter · Physics 2023-08-16 D. Yaremchuk , O. Kalyuzhnyi , J. Ilnytskyi

The encapsulation of fragile biomacromolecules is crucial for many biotechnological applications but remains challenging. Interfacial complexation (IC) in water-in-oil emulsions turned out to be an efficient process for the formation of…

Soft Condensed Matter · Physics 2021-09-30 L. Sixdenier , C. Tribet , E. Marie
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