No abstract

In this second in a series of three papers, asymptotic behavior correlations (ABCs) are presented for PVT-related properties: normal boiling and melting point, critical temperature, pressure, and volume, acentric factor, liquid molar volume, and vapor pressure. The theoretical basis for the asymptotic behavior of these properties is discussed. The correlations were developed using literature data for n-paraffins and n-olefins (1-alkenes) and give accurate and consistent predictions. They are preferable to existing correlations in most instances. For melting point and liquid density, comparisons are made with high molecular weight, linear polyethylenes. It is also demonstrated that the ABCs developed for n-paraffins and n-olefins can be used to estimate the properties of other higher carbon-number n-alkyl derivatives, if the properties are known for at least one lower carbon-number member of the homologous series.

No abstract

In this first in a series of three papers, a formal treatment is presented for the development of property correlations for homologous series of compounds. The theoretical basis for asymptotic behavior is discussed, and the methodology used to regress parameters is described. The equations developed are quite general and can be extended to other properties or homologous series. Parts 2 and 3 of this series present correlations developed for n-paraffins and n-olefins (1-alkenes) to predict PVT related properties, normal boiling and melting points, critical temperature, pressure, and volume, acentric factor, liquid molar volume, and vapor pressure (part 2); thermal properties, ideal-gas enthalpy and free energy of formation, ideal-gas heat capacity, enthalpy of vaporization, and liquid heat capacity (part 3); transport properties: liquid viscosity, thermal conductivity, and surface tension (part 3). It is demonstrated that these correlations are accurate, consistent, and yield reasonable extrapolations. They are preferable to existing correlations in most instances.

This paper investigates the alternative of precombustion capture of carbon dioxide from integrated gasification combined cycle (IGCC) plants using membrane reactors equipped with H 2 -selective zeolite membranes for the water gas shift reaction. Specifically, a one-dimensional and isothermal membrane reactor model is developed. This model is used for simulation and optimization studies considering cocurrent and countercurrent modes of reactor operation. The simulation results indicate successful countercurrent cases that satisfy all of the specified targets and constraints. With use of this developed model, a novel optimization problem is formulated and solved to guide the selection of the optimal reactor design among typical scenarios of operation. The optimization results suggest as optimal solution a reactor design with a preshift followed by a membrane reactor. The obtained optimal design enables a more efficient membrane use by placing it in the optimal location. This design also results in savings of as high as 25% (in the range of 10−25%) in terms of membrane material when compared to the original membrane reactor design. For the price range of zeolite membranes considered on the order of $1000−10 000/m 2 and for large-scale applications, in which the membrane surface areas are on the order of 2000 m 2 , 25% of savings implies cost reductions on the order of millions of dollars (as high as $5 000 000 in this case).