Topic
Extent of reaction
About: Extent of reaction is a research topic. Over the lifetime, 398 publications have been published within this topic receiving 8078 citations.
Papers published on a yearly basis
Papers
More filters
TL;DR: In this article, the authors demonstrate that it is possible to perform covalent post-synthetic modifications of the UiO-66-NH2 MOF with four different acid anhydrides.
Abstract: Post-synthetic modification is a viable route for the introduction of surface sites with new chemical properties in metal–organic framework compounds. Herein we demonstrate that it is possible to perform covalent post-synthetic modifications of the UiO-66–NH2 MOF with four different acid anhydrides. FT-IR is employed to monitor the reactions and the extent of reaction depends on the bulkiness of the anhydrides. For the smallest one, acetic anhydride, 100% conversion to UiO-66–NHCOCH3 was observed.
333 citations
TL;DR: In this paper, the optimum initial mole ratio of iron(III)/pyrrole for the polymerization by aqueous iron (III) chloride solution at 19°C is shown to be approximately 2.38 ± 0.04.
278 citations
TL;DR: In this paper, the authors show that the Q groups are sufficiently isolated on the monolayer that the reactivity is independent of the extent of reaction and that the reaction always proceeded to completion.
Abstract: where It is the peak current at time t, Io is the initial peak current and If is the residual nonfaradaic current. The excellent fit of the experimental data to this equation indicates that the Q groups are sufficiently isolated on the monolayer that the reactivity is independent of the extent of reaction. We next repeated this experiment with concentrations of cp ranging from 0.76 to 58 mM and in all cases found that the loss in peak current was described well by an exponential decay and that the reaction always proceeded to completion. The pseudo-first-order rate constants increased linearly with the concentration of diene: the slope of the best-fit line (Figure 3, inset) provided a second-order rate constant of kDA ) 0.26 M -1 s -1 , after adjustment for the fraction of time that Q was present. It is striking that this interfacial reaction is kinetically well-behaved. 8
240 citations
TL;DR: A simple equation to model the dependence of the glass transition temperature (T g ) on the extent of reaction in highly cross-linked thermosetting polymers has been derived in this article, assuming that the increase in T g is caused by decrease in chain-end concentration, formation of effective cross-links, and further decrease in the configurational entropy due to departure from Gaussian behavior at high cross-link densities.
Abstract: A simple equation to model the dependence of the glass transition temperature (T g ) on the extent of reaction in highly cross-linked thermosetting polymers has been derived. The model assumes that the increase in T g is caused by (a) decrease in chain-end concentration, (b) formation of effective cross-links, and (c) further decrease in the configurational entropy due to departure from Gaussian behavior at high cross-link densities
227 citations
TL;DR: It is suggested that subcontinuum effects can play an important role in the overall extent of mixing and reaction in groundwater, and hence may need to be considered when evaluating reactive transport.
Abstract: The objectives of this work were to determine if a pore-scale model could accurately capture the physical and chemical processes that control transverse mixing and reaction in microfluidic pore structures (i.e., micromodels), and to directly evaluate the effects of porous media geometry on a transverse mixing-limited chemical reaction. We directly compare pore-scale numerical simulations using a lattice-Boltzmann finite volume model (LB-FVM) with micromodel experiments using identical pore structures and flow rates, and we examine the effects of grain size, grain orientation, and intraparticle porosity upon the extent of a fast bimolecular reaction. For both the micromodel experiments and LB-FVM simulations, two reactive substrates are introduced into a network of pores via two separate and parallel fluid streams. The substrates mix within the porous media transverse to flow and undergo instantaneous reaction. Results indicate that (i) the LB-FVM simulations accurately captured the physical and chemical process in the micromodel experiments, (ii) grain size alone is not sufficient to quantify mixing at the pore scale, (iii) interfacial contact area between reactive species plumes is a controlling factor for mixing and extent of chemical reaction, (iv) at steady state, mixing and chemical reaction can occur within aggregates due to interconnected intra-aggregate porosity, (v) grain orientation significantly affects mixing and extent of reaction, and (vi) flow focusing enhances transverse mixing by bringing stream lines which were initially distal into close proximity thereby enhancing transverse concentration gradients. This study suggests that subcontinuum effects can play an important role in the overall extent of mixing and reaction in groundwater, and hence may need to be considered when evaluating reactive transport.
221 citations