Effects of the number and distribution of fins on the storage characteristics of a cylindrical latent heat energy storage system: a numerical study

A numerical study of the effects of the number and distribution of fins on the storage characteristics of a cylindrical latent heat energy storage system (LHESS) was conducted. Due to the low thermal conductivity of phase change materials (PCMs) used in LHESS, fins were added to the system to increase the rate of heat transfer and charging. Finite elements were used to implement the developed numerical method needed to study and solve for the phase change heat transfer (melting of PCM) encountered in a LHESS during charging. The effective heat capacity method was applied in order to account for the large amount of latent energy stored during melting of the PCM and the moving interface between the solid and liquid phases. The effects of increasing the number and distribution of fins on the melting rate of the PCM were studied for configurations having between 0 and 27 fins for heat transfer fluid (HTF) velocities of 0.05 and 0.5?m/s. Results show that the overall heat transfer rate to the PCM increases with an increase in the number of fins irrespective of the HTF velocity. It was also observed that the total amount of energy stored after 12?h increases nearly linearly with the addition of fins up to 12 fins; further addition of fins increasing the total energy stored by ever smaller amounts.     

Sharp Conditions for Korn Inequalities in Orlicz Spaces

We show that Korn’s inequality in Orlicz spaces holds if and only if the Orlicz function satisfies the Δ₂- and the ${\nabla_2}$ -condition. This result applies to several types of Korn’s inequality. In particular we show that Korn’s inequality is false in L ¹, in L log L, in Exp and in L ^∞.     

First-principles studies of H2S adsorption and dissociation on metal surfaces

Density functional theory calculations were employed to investigate the molecular and dissociative adsorption of H₂S on the closed packed surfaces of a number of important noble metals (Ag(1 1 1), Au(1 1 1) and Cu(1 1 1)) and transition metals (Ir(1 1 1), Ni(1 1 1), Pd(1 1 1) and Pt(1 1 1)). Energy minima corresponding to adsorbed states were identified with H₂S binding preferentially at the top sites. The adsorption of other S moieties (SH and S) was also examined. SH and S were found to prefer bridge sites and hollow sites, respectively. The binding of H₂S and its S-containing dissociated species is stronger on the transition metals. The elementary reactions of abstraction of H from H₂S to form a surface SH intermediate and abstraction of H from SH to form a surface S intermediate as model pathways for the dissociation of H₂S were examined. Our results suggest that H₂S decomposition on the aforementioned transition metal surfaces is more facile, both thermodynamically and kinetically.     

Analytical solution to the unsteady one-dimensional conduction problem with two time-varying boundary conditions: Duhamel’s theorem and separation of variables

An analytical resolution of the time-dependent one-dimensional heat conduction problem with time-dependent boundary conditions using the method of separation of variables and Duhamel’s theorem is presented. The two boundary conditions used are a time-dependent heat flux at one end and a varying temperature at the other end of the one-dimensional domain. It is put forth because the author found that the prescribed resolution method using separation of variables and Duhamel’s theorem presented in heat conduction textbooks is not directly applicable to problems with more than one time-dependent boundary condition. The analytical method presented in this paper makes use of one of the property of the heat conduction equation: the apparent linearity of the solutions. For that reason, in order to solve a problem with two time-dependent boundary conditions, the author first separates the initial problem into two independent but complementary problems, each with only one time-dependent boundary condition. Doing that, both simpler problems can be solved independently using a prescribed method that is known to work and the final solution can be obtained by joining the two independent solutions from the simpler separated problems. Every step of the resolution method is presented in this paper, along with a numerical validation of the final solution of three test case problems.     

Guest Binding via N−H⋅⋅⋅π Bonding and Kinetic Entrapment by an Inorganic Macrocycle

Modern supramolecular chemistry is overwhelmingly based on non‐covalent interactions involving organic architectures. However, the question of what happens when you depart from this area to the supramolecular chemistry of structures based on non‐carbon frameworks remains largely unanswered, and is an area that potentially provides new directions in molecular activation, host–guest chemistry, and biomimetic chemistry. In this work, we explore the unusual host–guest chemistry of the pentameric macrocycle [{P(μ‐N^tBu}₂NH]₅ with a range of anionic and neutral guests. The polar coordination site of this host promotes new modes of guest encapsulation via hydrogen bonding with the π systems of the unsaturated C≡C and C≡N bonds of acetylenes and nitriles as well as with the PCO^? anion. Halide guests can be kinetically locked within the structure by oxidation of the phosphorus periphery by oxidation to P^V. Our study underscores the future promise of p‐block macrocyclic chemistry.     

Design of optical switches as metabolic indicators: new fluorogenic probes for monoamine oxidases (MAO A and B)

This study describes the design of sensitive, selective, and fluorogenic reporter substrates for monoamine oxidase (MAO) enzymes. This was achieved by an iterative effort, guided by PET and TICT photophysical concepts, which led to the development of irreversible redox switches based on a facile oxidation-cyclization reporting mechanism. Specifically, enzymatic oxidation of the ethylamino group in probe 9 proceeded via a putative aldehyde intermediate, which subsequently underwent spontaneous and intramolecular condensation with the aniline amino group furnishing an indole product in an irreversible fashion. This overall change resulted in a significant change in the emission intensity. When expressed in terms of brightness, the origins of this emission switch may be rationalized by the changes in quantum yield and absorbance strength. The fluorescence readout directly correlated with the kinetics of the oxidative step (i.e., reporting mechanism was fast, the intermediate aldehyde was not detected). Probe 9 is a good substrate for MAO B (Km = 510 +/- 40 muM, kcat = 21 min-1) with the kinetic parameters comparable to physiological substrates. This probe not only allows for direct and continuous measurement of MAO activity in mitochondria and tissue homogenates, but more importantly sets the stage for future studies in intact cells and organs.     

Highly selective epoxidation of styrene using a transition metal-aluminium(III) complex containing the [MeAl(2-py)3]- anion (2-py = 2-pyridyl)

The reactions of [MeAl(2-py)3Li.thf] (1) with FeCl2 or Cp2Mn in toluene-thf give simple access to the Group 13-transition metal heterometallic complexes [{MeAl(2-py)3}2M][M = Fe (2), Mn (3)]; complex has been shown to be a highly selective styrene epoxidation catalyst in air.