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Modeling and simulating chemical reactions [PDF]
SIAM Review, 2008 Many students are familiar with the idea of modeling chemical reactions in terms of ordinary differential equations. However, these deterministic reaction rate equations are really a certain large-scale limit of a sequence of finer-scale probabilistic ...
Higham, Desmond J., Higham, D.J.
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Advanced Energy & Sustainability Research, 2021 Zinc (Zn)‐based aqueous battery‐supercapacitor hybrid (BSH) devices are considered promising energy storage devices benefiting from their high energy and power densities, low‐cost, safety, and environmental benignity.
Hongjun Park, Raj Kumar Bera, Ryong Ryoo
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Metals, 2022 The influence of mechano-ultrasonic activation (MUA) and nano-additives (carbon nanotubes-CNT) on the interaction pathway of nickel–aluminum powder mixture at high heating rates was investigated.
Khachik Nazaretyan +5 more
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Chemical master equation and Langevin regimes for a gene transcription model [PDF]
, 2007 Gene transcription models must take account of intrinsic stochasticity. The Chemical Master Equation framework is based on modelling assumptions that are highly appropriate for this context, and the Stochastic Simulation Algorithm (also known as ...
Higham, Desmond J. +4 more
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Chemical master versus chemical langevin for first-order reaction networks [PDF]
, 2008 Markov jump processes are widely used to model interacting species in circumstances where discreteness and stochasticity are relevant. Such models have been particularly successful in computational cell biology, and in this case, the interactions are ...
Higham, Desmond J., Khanin, Raya
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Asymmetric polyamide nanofilms with highly ordered nanovoids for water purification
Nature Communications, 2020 Structure and morphology are critical to the performance of permeable and selective polyamide membranes in water purification. Here, the authors report a two layer asymmetric polyamide nanofilm in which a spherical polyamide dendrimer porous lower and a ...
Bingbing Yuan +4 more
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The Competition between 4-Nitrophenol Reduction and BH4− Hydrolysis on Metal Nanoparticle Catalysts
Molecules, 2023 Assessing competitive environmental catalytic reduction processes via NaBH4 is essential, as BH4− is both an energy carrier (as H2) and a reducing agent. A comprehensive catalytic study of the competition between the borohydride hydrolysis reaction (BHR,
Shalaka Varshney +3 more
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Polyoxometalates, 2023 Silver-modified polyniobotungstate based on Nb/W mixed-addendum polyoxometalate with formula Ag9[P2W15Nb3O62]·21H2O (Ag-Nb/W) was synthesized and then characterized by various analytical and spectral techniques.
Shujun Li +7 more
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A millifluidic calorimeter with InfraRed thermography for the measurement of chemical reaction enthalpy and kinetics [PDF]
, 2008 The aim of this work is to present an infrared calorimeter for the measurement of the kinetics and the enthalpy of high exothermic chemical reactions. The main idea is to use a millifluidic chip where the channel acts as a chemical reactor.
PRADERE, Christophe +3 more
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Three-dimensional hot electron photovoltaic device with vertically aligned TiO2 nanotubes
Scientific Reports, 2018 Titanium dioxide (TiO2) nanotubes with vertically aligned array structures show substantial advantages in solar cells as an electron transport material that offers a large surface area where charges travel linearly along the nanotubes.
Kalyan C. Goddeti +3 more
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