Thermodynamics of blends of poly(ethylene oxide) with poly(methyl methacrylate) and poly(vinyl acetate): prediction of miscibility based on Flory solution theory modified by Hamada

Flory solution theory modified by Hamada et al. (Macromolecules, 1980, 13, 729) was used to predict the miscibility of blends of poly(ethylene oxide) with poly(methyl methacrylate) (PEO-aPMMA) and with poly(vinyl acetate) (PEO-PVAc). Interaction parameters of a PEO-aPMMA blend with the weight ratio of PEO/aPMMA = 50/50 at the temperature range of 393-433 K and PEO-PVAc blends with different compositions and temperatures were calculated from the determined equation-of-state parameters based on Flory solution theory modified by Hamada ed al. Results show that interaction parameters of the PEO-aPMMA blend are negative and can be comparable with values obtained from neutron-scattering measurements by Ito et al. (Macromolecules, 1987, 20, 2213). Also, interaction parameters and excess volumes of PEO-PVAc blends are negative and increase with enhancing the content of PEO and the temperature. (C) 1998 Elsevier Science Ltd. All rights reserved.

STATISTICAL THERMODYNAMICS OF POLYDISPERSE POLYMERS

A statistical thermodynamics theory of polydisperse polymers based on a lattice model of fluids is formulated. Pure polydisperse polymer can be completely characterized by three scale factors and the molecular weight distribution of the system. The equation of state does not satisfy a simple corresponding-states principle, except for a polymer fluid of sufficiently high molecular weight. The relationships between thermal expansion coefficient alpha and isothermal compressibility beta with reduced variables are also predicted.

Duality in noncommutative topologically massive gauge field theory revisited

We introduce a master action in non-commutative space, out of which we obtain the action of the non-commutative Maxwell-Chern-Simons theory. Then, we look for the corresponding dual theory at both first and second order in the non-commutative parameter. At the first order, the dual theory happens to be, precisely, the action obtained from the usual commutative self-dual model by generalizing the Chern-Simons term to its non-commutative version, including a cubic term. Since this resulting theory is also equivalent to the non-commutative massive Thirring model in the large fermion mass limit, we remove, as a byproduct, the obstacles arising in the generalization to non-commutative space, and to the first non-trivial order in the non-commutative parameter, of the bosonization in three dimensions. Then, performing calculations at the second order in the non-commutative parameter, we explicitly compute a new dual theory which differs from the non-commutative self-dual model and, further, differs also from other previous results and involves a very simple expression in terms of ordinary fields. In addition, a remarkable feature of our results is that the dual theory is local, unlike what happens in the non-Abelian, but commutative case. We also conclude that the generalization to non-commutative space of bosonization in three dimensions is possible only when considering the first non-trivial corrections over ordinary space.

Toward an outline of the topography of a realistic protein-folding funnel.

Experimental information on the structure and dynamics of molten globules gives estimates for the energy landscape's characteristics for folding highly helical proteins, when supplemented by a theory of the helix-coil transition in collapsed heteropolymers. A law of corresponding states relating simulations on small lattice models to real proteins possessing many more degrees of freedom results. This correspondence reveals parallels between "minimalist" lattice results and recent experimental results for the degree of native character of the folding transition state and molten globule and also pinpoints the needs of further experiments.

Correlation of thermodynamic properties of chloromethanes

A correlation for entropy and enthalpy based on the two-parameter law of corresponding states and the reference substance concept has been obtained. For 199 points tested, the over-all average absolute deviation and the maximum deviations in the calculated values of entropy with the available data are 0.74 and 7.20%. The corresponding deviations of enthalpy are 1.86 and 15.0%, respectively. A compressibility chart for chloromethanes has been made and shown to be superior to existing charts. For 102 points tested, the average absolute and maximum deviations in the compressibilities were 1.80 and 19.5%, respectively.

A comparative-study of vapor-compression refrigeration working fluids, in the wake of the montreal protocal

A comparative study has been carried out of R-12, 22, 125, 134a, 152a, 218, 245, 500, 502, 507 and 717 as working fluids in a vapour-compression refrigeration system. Two performance parameters were defined, which are expressed in reduced quantities for a corresponding-states comparison of these refrigerants in the temperature range -20 to 50-degrees-C. One is based on the product of temperature drop to pressure penalty ratio and the available volumetric heat of vaporisation at the evaporator; the other considers the effect of isentropic compression in the ideal gas state. It was shown that R-125, 507 and 218 could be better alternatives to R-12 than R-134a. Among these, R-218 has a lower maximum cycle pressure.

Waring and Riedel Functions for the Liquid-Vapor Coexistence Curve

There exists a minimum in the Waring function, psi(T) = -d(ln p)/d(1/T), and in the Riedel function, alpha(T) = d(ln p)/d(In T), in the liquid-vapor coexistence curve for most fluids. By analyzing National Institute of Standards and Technology data for the molar enthalpy of vaporization and the compressibility variation at the liquid-vapor phase change of 105 fluids, we find that the temperatures of these minima are linearly correlated with the critical temperature, T-c. Using reduced coordinates, we also demonstrate that the minima are well-correlated with the acentric factor. These correlations are used for testing four well-known vapor pressure equations in the Pitzer corresponding states scheme.

Modelagem da tensão superficial de misturas de hidrocarbonetos

Esta dissertação apresenta um novo modelo criado para a previsão do valor da tensão superficial de misturas de hidrocarbonetos. Pode ser utilizado na forma preditiva ou correlativa. Este modelo foi baseado no modelo preditivo para soluções ideais de HildebrandScott (1950) e no modelo correlativo de JouybanAcree (2004). Outras regras de mistura foram avaliadas e comparadas com o modelo proposto, incluindo abordagens clássicas como de Sprow e Prausnitz, parácoro e estados correspondentes. Foram avaliados os desempenhos dos modelos escolhidos na previsão e na correlação da tensão superficial de misturas de hidrocarbonetos em diferentes temperaturas que continham diferentes assimetrias na mistura, tanto em natureza química (e.g., parafínicos, naftênicos e aromáticos) quanto em tamanho de cadeia. No total foram empregados 773 dados experimentais. Dentre os modelos preditivos, o modelo proposto foi o de melhor desempenho. Para sistemas com comportamento próximo da idealidade, esse modelo apresentou desvios em relação aos dados experimentais compatíveis com o erro experimental. Todos os modelos correlativos estudados apresentaram desvios essencialmente da ordem do erro experimental. O modelo proposto é importante, pois é capaz de prever a tensão superficial de misturas binárias aproximadamente ideais de hidrocarbonetos com elevada acurácia, além de permitir a correlação eficiente dos dados de todas as misturas estudadas

Development of accurate, robust liquid equations of state for multi-phase CFD simulations with a modified AUSM+-up scheme

Eight equations of state (EOS) have been evaluated for the simulation of compressible liquid water properties, based on empirical correlations, the principle of corresponding states and thermodynamic relations. The IAPWS-IF97 EOS for water was employed as the reference case. These EOSs were coupled to a modified AUSM+-up convective flux solver to determine flow profiles for three test cases of differing flow conditions. The impact of the non-viscous interaction term discretisation scheme, interfacial pressure method and selection of low-Mach number diffusion were also compared. It was shown that a consistent discretisation scheme using the AUSM+-up solver for both the convective flux and the non-viscous interfacial term demonstrated both robustness and accuracy whilst facilitating a computationally cheaper solution than discretisation of the interfacial term independently by a central scheme. The simple empirical correlations gave excellent results in comparison to the reference IAPWS-IF97 EOS and were recommended for developmental work involving water as a cheaper and more accurate EOS than the more commonly used stiffened-gas model. The correlations based on the principles of corresponding-states and the modified Peng-Robinson cubic EOS also demonstrated a high degree of accuracy, which is promising for future work with generic fluids. Further work will encompass extension of the solver to multiple dimensions and to account for other source terms such as surface tension, along with the incorporation of phase changes. © 2013.

孤岛油田曲流河微相单砂体储层建筑结构及挖潜方向研究

In the intermediary and later stage of oil field development, remaining oil disperses fiercely, the contradiction in the layer has become the main problem and the distribution of remaining oil is transforming to the difference of single sand-body. So, the fine description research of reservoir is becoming a tendency and the methods of remaining oil research need new developments. In the research of “The Single-sand-body Architectural Element and Potentiality Analysis Research of Meandering River, GuDao Oil Field”, the research principle is analytical hierarchy process and schema prescription what are reservoir fine description methods under the condition of dense well pattern. The knowledge of regional sedimentary system and sedimentary facies is the foundation of this research. According to the 3D distribution model of the microfacies sand-body of fluvial facies, stratigraphic unit classification & coenocorrelation of 154 wells are completed in the research of meandering river sand-body in Ng3-4. In this research, the 3D distribution of microfacies sand-body in the main layers are settled. The architectural element model of Ng4 point bar is analysed using the drill core and FMI data. According to the overgrow model of point bar, the surfaces of lateral accretion is traced and the architectural element model of point bar is settled. In the research, the control of micro-facies sand-body of meandering river to the distribution of remaining oil is analysed and the potential area is proposed. All these will play an important role in the development of GuDao oil field. In this research, abundant of logging data, drill core data and production performance data are used to analyse the contributing factor of single sand-body in the Ng3-4 meandering river. Using the technology of geological modeling, all that are researched including the 3D distribution scales of meandering river point bar, the control affection of inner lateral accretion layer to the distribution of oil & gas and remaining. Then, the way of remaining oil development in the sand-body of meandering river is improved. The innovation of the research technology includes (1) the presentation of the conception and research methods of micro-facies sand-body (2) enriching the content of reservoir architectural element research and (3) to renew the research method of remaining oil analysis. The research has practiced with obvious effect.(1)It is deepened into understand the river facies reservoir construction of Gudao oil field, By Building the reservoir construction and studying the effect of diffent deposit or geological interface to fluid partition and to the distribution of the remaining oil, we improved the understanding to the distribution of the remaining oil；(2)By building the distribution mod of the remaining oil in the reservoir construction and making the remaining oil description detailed,the development direction of old oil field is more clear；(3)Expanded the application scales of the horizontal well and enhanced the application effects of the horizontal well technique , we designed and drilled 23 ports horizontal wells in all , the cumulative hydrocarbon production is 10.6*104 t；(4) According to the findings of the internal building structure in reservoir of the fluvial facies in the region of interest, and uniting the injection/production corresponding states、the producing history and the dynamic monitoring documents of the oil/water wells in the flooding units , we researched the residual oil distribution in the point bar , and found the distribution regular patterns of the remaining oil, and comprehended the distribution of the remaining oil . In base of that , we proceeded the optimizing designs of the oil well potentialities , and advanced the effect of the treatment potentials . It is proved that , it was very important that internal building structure research of the single sand body of reservoir for guiding the high efficiency potentialities of the remaining oil in the high water cut stage .

Heat capacities of ionic liquids as a function of temperature at 0.1 MPa. measurement and prediction

Heat capacities of nine ionic liquids were measured from (293 to 358) K by using a heat flux differential scanning calorimeter. The impact of impurities (water and chloride content) in the ionic liquid was analyzed to estimate the overall uncertainty. The Joback method for predicting ideal gas heat capacities has been extended to ionic liquids by the generation of contribution parameters for three new groups. The principle of corresponding states has been employed to enable the subsequent calculation of liquid heat capacities for ionic liquids, based on critical properties predicted using the modified Lydersen-Joback-Reid method, as a function of the temperature from (256 to 470) K. A relative absolute deviation of 2.9% was observed when testing the model against 961 data points from 53 different ionic liquids reported previously and measured within this study.

Lake restoration in terms of ecological resilience: a numerical study of biomanipulations under bistable conditions

An abstract version of the comprehensive aquatic simulation model (CASM) is found to exhibit bistability under intermediate loading of nutrient input, supporting the alternative-stable-states theory and field observations for shallow lakes. Our simulations of biomanipulations under the bistable conditions reveal that a reduction in the abundance of zooplanktivorous fish cannot switch the system from a turbid to a clear state. Rather, a direct reduction of phytoplankton and detritus was found to be most effective to make this switch in the present model. These results imply that multiple manipulations may be effective for practical restorations of lakes. We discuss the present results of biomanipulations in terms of ecological resilience in multivariable systems or natural systems.

Aging and stationary properties of non-equilibrium symmetrical three-state models

We consider a non-equilibrium three-state model whose dynamics is Markovian and displays the same symmetry as the three-state Potts model, i.e. the transition rates are invariant under the cyclic permutation of the states. Unlike the Potts model, detailed balance is, in general, not satisfied. The aging and the stationary properties of the model defined on a square lattice are obtained by means of large-scale Monte Carlo simulations. We show that the phase diagram presents a critical line, belonging to the three-state Potts universality class, that ends at a point whose universality class is that of the Voter model. Aging is considered on the critical line, at the Voter point and in the ferromagnetic phase.

Critical behavior of a contact process with aperiodic transition rates

We performed Monte Carlo simulations to investigate the steady-state critical behavior of a one-dimensional contact process with an aperiodic distribution of rates of transition. As in the presence of randomness, spatial fluctuations can lead to changes of critical behavior. For sufficiently weak fluctuations, we give numerical evidence to show that there is no departure from the universal critical behavior of the underlying uniform model. For strong spatial fluctuations, the analysis of the data indicates a change of critical universality class.