Relation Between the Diffusivity, Viscosity, and Ionic Radius of LiCl in Water, Methanol, and Ethylene Glycol: A Molecular Dynamics Simulation

A molecular dynamics (MD) investigation of LiCl in water, methanol, and ethylene glycol (EG) at 298 K is reported. Several; structural and dynamical properties of the ions as well as the solvent such as self-diffusivity, radial distribution functions, void and neck distributions, velocity autocorrelation functions, and mean residence times of solvent in the first solvation shell have been computed. The results show that the reciprocal relationship between the self-diffusivity of the ions and the viscosity is valid in almost all solvents with the exception of water. From an analysis of radial distribution functions and coordination numbers the nature of hydrogen bonding within the solvent and its influence on the void and neck distribution becomes evident. It is seen that the solvent solvent interaction is important in EG while solute solvent interactions dominate in water and methanol. From Voronoi tessellation, it is seen that the voids and necks within methanol are larger as compared to those within water or EG. On the basis of the void and neck distributions obtained from MD simulations and literature experimental data of limiting ion conductivity for various ions of different sizes we show that there is a relation between the void and neck radius on e one hand and dependence of conductivity on the ionic radius on the other. It is shown that the presence of large diameter voids and necks in methanol is responsible for maximum in limiting ion conductivity (lambda(0)) of TMA(+), while in water in EG, the maximum is seen for Rb+. In the case of monovalent anions, maximum in lambda(0) as a function ionic radius is seen for Br- in water EG but for the larger ClO4- ion in methanol. The relation between the void and neck distribution and the variation in lambda(0) with ionic radius arises via the Levitation effect which is discussed. These studies show the importance of the solvent structure and the associated void structure.

Comparison of CO2 and steam in transcritical Rankine cycles for concentrated solar power

High temperature, high pressure transcritical condensing CO2 cycle (TC-CO2) is compared with transcritical steam (TC-steam) cycle. Performance indicators such as thermal efficiency, volumetric flow rates and entropy generation are used to analyze the power cycle wherein, irreversibilities in turbo-machinery and heat exchangers are taken into account. Although, both cycles yield comparable thermal efficiencies under identical operating conditions, TC-CO2 plant is significantly compact compared to a TC-steam plant. Large specific volume of steam is responsible for a bulky system. It is also found that the performance of a TC-CO2 cycle is less sensitive to source temperature variations, which is an important requirement of a solar thermal system. In addition, issues like wet expansion in turbine and vacuum in condenser are absent in case of a TC-CO2 cycle. External heat addition to working fluid is assumed to take place through a heat transfer fluid (HTF) which receives heat from a solar receiver. A TC-CO2 system receives heat though a single HTF loop, whereas, for TC-steam cycle two HTF loops in series are proposed to avoid high temperature differential between the steam and HTF. (C) 2013 P. Garg. Published by Elsevier Ltd.

First and second law thermodynamic analysis of air and oxy-steam biomass gasification

Gasification is an energy transformation process in which solid fuel undergoes thermochemical conversion to produce gaseous fuel, and the two most important criteria involved in such process to evaluate the performance, economics and sustainability of the technology are: the total available energy (exergy) and the energy conserved (energy efficiency). Current study focuses on the energy and exergy analysis of the oxy-steam gasification and comparing with air gasification to optimize the H-2 yield, efficiency and syngas energy density. Casuarina wood is used as a fuel, and mixture of oxygen and steam in different proportion and amount is used as a gasifying media. The results are analysed with respect to varying equivalence ratio and steam to biomass ratio (SBR). Elemental mass balance technique is employed to ensure the validity of results. First and second law thermodynamic analysis is used towards time evaluation of energy and exergy analysis. Different component of energy input and output has been studied carefully to understand the influence of varying SBR on the availability of energy and irreversibility in the system to minimize the losses with change in input parameters for optimum performance. The energy and exergy losses (irreversibility) for oxy-steam gasification system are compared with the results of air gasification, and losses are found to be lower in oxy-steam thermal conversion; which has been argued and reasoned due to the presence of N-2 in the air-gasification. The maximum exergy efficiency of 85% with energy efficiency of 82% is achieved at SBR of 0.75 on the molar basis. It has been observed that increase in SBR results in lower exergy and energy efficiency, and it is argued to be due to the high energy input in steam generation and subsequent losses in the form of physical exergy of steam in the product gas, which alone accounts for over 18% in exergy input and 8.5% in exergy of product gas at SBR of 2.7. Carbon boundary point (CBP), is identified at the SBR of 1.5, and water gas shift (WGS) reaction plays a crucial role in H-2 enrichment after carbon boundary point (CBP) is reached. Effects of SBR and CBP on the H-2/CO ratio is analysed and discussed from the perspective of energy as well as the reaction chemistry. Energy density of syngas and energy efficiency is favoured at lower SBR but higher SBR favours H-2 rich gas at the expense of efficiency. Copyright (C) 2014, Hydrogen Energy Publications, LLC. Published by Elsevier Ltd. All rights reserved.

Pt-Doped and Pt-Supported La1-xSrxCoO3: Comparative Activity of Pt4+ and Pt-0 Toward the CO Poisoning Effect in Formic Acid and Methanol Electro-oxidation

Pt-supported La1-xSrxCoO3 and Pt-doped La1-xSrxCoO3 are synthesized using chemical reduction and solution combustion method, respectively. Chemical reduction is carried out using formaldehyde as a reducing agent giving Pt-supported La1-xSrxCoO3. Solution combustion method is used to prepare Pt-doped La1-xSrxCoO3. Detailed characterization using X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), Brunauer-Emmett-Teller (BET) surface area measurement, and transmission electron microscopy (TEM) is carried out to distinguish the Pt-supported and Pt-doped compounds in terms of their morphology and Pt oxidations states. TEM results indeed show the differences in their morphology. Further, electrochemical measurements are performed in neutral medium to differentiate their electrochemical activity. Cyclic voltammetry (CV) shows noticeable differences between Pt-supported La1-xSrxCoO3 and Pt-doped La1-xSrxCoO3. Importantly, our results show that Pt4+ in doped compound has poor to zero electrocatalytic activity toward formic acid and methanol electro-oxidation in comparison to Pt-0 in supported compound. This study shows that metallic Pt in zero oxidation state is a superior catalyst to Pt in +4 oxidation state.

Regulation of Acetate Metabolism and Acetyl Co-a Synthetase 1 (ACS1) Expression by Methanol Expression Regulator 1 (Mxr1p) in the Methylotrophic Yeast Pichia pastoris

Methanol expression regulator 1 (Mxr1p) is a zinc finger protein that regulates the expression of genes encoding enzymes of the methanol utilization pathway in the methylotrophic yeast Pichia pastoris by binding to Mxr1p response elements (MXREs) present in their promoters. Here we demonstrate that Mxr1p is a key regulator of acetate metabolism as well. Mxr1p is cytosolic in cells cultured in minimal medium containing a yeast nitrogen base, ammonium sulfate, and acetate (YNBA) but localizes to the nucleus of cells cultured in YNBA supplemented with glutamate or casamino acids as well as nutrient-rich medium containing yeast extract, peptone, and acetate (YPA). Deletion of Mxr1 retards the growth of P. pastoris cultured in YNBA supplemented with casamino acids as well as YPA. Mxr1p is a key regulator of ACS1 encoding acetyl-CoA synthetase in cells cultured in YPA. A truncated Mxr1p comprising 400 N-terminal amino acids activates ACS1 expression and enhances growth, indicating a crucial role for the N-terminal activation domain during acetate metabolism. The serine 215 residue, which is known to regulate the expression of Mxr1p-activated genes in a carbon source-dependent manner, has no role in the Mxr1p-mediated activation of ACS1 expression. The ACS1 promoter contains an Mxr1p response unit (MxRU) comprising two MXREs separated by a 30-bp spacer. Mutations that abrogate MxRU function in vivo abolish Mxr1p binding to MxRU in vitro. Mxr1p-dependent activation of ACS1 expression is most efficient in cells cultured in YPA. The fact that MXREs are conserved in genes outside of the methanol utilization pathway suggests that Mxr1p may be a key regulator of multiple metabolic pathways in P. pastoris.

Viscosity, Surface Tension, and Atomization of Water-Methanol and Diesel Emulsions

This article is the result of experimental studies of the rheologv, viscosities, surface tensions, and atomization of water-methanol and diesel emulsions. The Span 80 and Tween 60 are employed to make three emulsifying agents, Y01, Y02, and Y03, with viscosity of 1.32-1.5 Pa s and HLB values of 5.36, 4.83, and 4.51, respectively. In the water-in-oil emulsions, the aqueous phase is between 10% and 50%; the agent concentration added is 0.8-8.0%. The viscosity of the emulsions is 0.003-0.02 Pa s, and the surface tens ion is 0.04-0.1 N/m. The types and concentrations of agents significantly influence the viscosity of the emulsions, and the higher concentration of the aqueous phase (<50%) in creases the viscosities of the emulsions, especially for higher agent concentration. Interfacial membrane and HLB values of the agents can explain all these phenomena. Higher aqueous phase concentration and agent viscosity results in larger Sauter mean diameter.

Different methods of manufacturing FE-based oxygen carrier particles for reforming via chemical looping, and their effect on performance

Chemical looping combustion (CLC) is a means of combusting carbonaceous fuels, which inherently separates the greenhouse gas carbon dioxide from the remaining combustion products, and has the potential to be used for the production of high-purity hydrogen. Iron-based oxygen carriers for CLC have been subject to considerable work; however, there are issues regarding the lifespan of iron-based oxygen carriers over repeated cycles. In this work, haematite (Fe2O3) was reduced in an N2+CO+CO2 mixture within a fluidised bed at 850°C, and oxidised back to magnetite (Fe3O4) in a H2O+N2 mixture, with the subsequent yield of hydrogen during oxidation being of interest. Subsequent cycles started from Fe3O4 and two transition regimes were studied; Fe3O4↔Fe0.947O and Fe 3O4↔Fe. Particles were produced by mechanical mixing and co-precipitation. In the case of co-precipitated particles, Al was added such that the ratio of Fe:Al by weight was 9:1, and the final pH of the particles during precipitation was investigated for its subsequent effect on reactivity. This paper shows that co-precipitated particles containing additives such as Al may be able to achieve consistently high H2 yields when cycling between Fe3O4 and Fe, and that these yields are a function of the ratio of [CO2] to [CO] during reduction, where thermodynamic arguments suggest that the yield should be independent of this ratio. A striking feature with our materials was that particles made by mechanical mixing performed much better than those made by co-precipitation when cycling between Fe3O4 and Fe0.947O, but much worse than co-precipitated particles when cycling between Fe3O 4 and Fe.

Design of a Self-Adaptive Down-Hole Layered Steam Injector and Its Application

Layered steam injection, widely used in Liaohe Oilfield at Present, is an effective recovery technique to heavy oil reserves. Which makes the steam front-peak push forward uniformly, the amount of steam injection be assigned rationally, and the effect of injection steam be obtained as expected. To maintain a fixed ratio of layered steam injection and solve the problem of nonadjustable hole diameter with the change of layer pressure in the existing injectors, a new method is proposed in this paper to design layered steam injectors based on the dynamic balance theory. According to gas-liquid two-phase flow theory and beat transfer theory, the energy equation and the heat conduction equation in boreholes are developed. By analyzing the energy equilibrium of water-steam passing through the injector hole, we find an expression to describe the relation between the cross-sectional area of injector hole and the layer pressure. With this expression, we provide a new set of calculation methods and write the corresponding computer program to design and calculate the main parameters of a steam injector. The actual measurement data show that the theoretically calculated results are accurate, the software runs reliably, and they provide the design of self-adjustable layered steam injectors with the theoretical foundation.

Design of a Self-Adaptive Down-Hole Layered Steam Injector and Its Application

Layered steam injection, widely used in Liaohe Oilfield at present, is an effective recovery technique to heavy oil reserves. Which makes the steam front-peak push forward uniformly, the amount of steam injection be assigned rationally, and the effect of injection steam be obtained as expected. To maintain a fixed ratio of layered steam injection and solve the problem of nonadjustable hole diameter with the change of layer pressure in the existing injectors, a new method is proposed in this paper to design layered steam injectors based on the dynamic balance theory According to gas-liquid two-phase flow theory and heat transfer theory, the energy equation and the heat conduction equation in boreholes are developed. By analyzing the energy equilibrium of water-steam passing through the injector hole, we find an expression to describe the relation between the cross-sectional area of injector hole and the layer pressure. With this expression, we provide a new set of calculation methods and write the corresponding computer program to design and calculate the main parameters of a steam injector. The actual measurement data show that the theoretically calculated results are accurate, the software runs reliably, and they provide the design of self-adjustable layered steam injectors with the theoretical foundation.

GmcA Is a Putative Glucose-Methanol-Choline Oxidoreductase Required for the Induction of Asexual Development in Aspergillus nidulans

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The Influence of Viscosity and Surface Tension on Atomization of Water/Methanol and Diesel Emulsions

This paper shows the result of experimental studies of the influence of viscosities, surface tensions on atomization characteristics of water/methanol and diesel emulsions. Three emulsifying agents Y01, Y02 and Y03, with viscosity of 1.32 ～ 1.5 Pa·s and HLB values of 5.36, 4.83 and 4.51 respectively was produced by Span 80 and Tween 60. In the W/O emulsions, the aqueous phase is between 10% and 50%; the agent concentration added is 0.8 ～ 8.0%. The viscosity of the emulsions is 0.003 ～ 0.02 Pa·s, and the surface tension is 0.04 ～ 0.1 N/m. The types and concentrations of agents and the aqueous phase ( < 50%) significantly influence the viscosity of the emulsions and the Sauter Mean Diameter, measured by Malvern Particle Analyzer SERIES 2600.