abstract: â in this study, the change in the crystalline structure of gas hydrate was predicted for ternary mixture of methane-ethane-water. for this purpose, the tangent plane distance (tpd) minimization method was used. first, the calculations were performed for the binary mixtures of methane-water and ethane-water as the gas and liquid phases. the results show that for a binary mixture of th...

Widespread use of pharmaceuticals has resulted in mixture concentrations ranging from mg/L in effluent to µg/L concentrations in surface water. In a 2008 study, 13 pharmaceuticals, ranging in amounts from 0.0028 to 0.1757 µg/l, were identified in the Tennessee River, USA and its tributaries. In order to address the need for risk assessment of environmentally relevant pharmaceutical mixtures, <e...

In a Bayesian mixture model it is not necessary a priori to limit the number of components to be finite. In this paper an infinite Gaussian mixture model is presented which neatly sidesteps the difficult problem of finding the “right” number of mixture components. Inference in the model is done using an efficient parameter-free Markov Chain that relies entirely on Gibbs sampling.

The example of column chromatography (Figure 1) demonstrates the typical features found in this analytical technique. The diagram shows an experiment where a two-component mixture is subjected to column chromatography. The column is packed with a solid material called the stationary phase. A liquid solvent or eluting solution is poured into the column and completely wets the solid packing mater...

Most of current approaches to mixture modeling consider mixture components from a few families of probability distributions, in particular from the Gaussian family. The reasons of these preferences can be traced to their training algorithms, typically versions of the Expectation-Maximization (EM) method. The reestimation equations needed by this method become very complex as the mixture compone...

Rapid and reliable detection and identification of unknown chemical substances are critical to homeland security. It is challenging to identify chemical components from a wide range of explosives. There are two key steps involved. One is a non-destructive and informative spectroscopic technique for data acquisition. The other is an associated library of reference features along with a computati...

Our main contribution is to propose a novel model selection methodology, expectation minimization of information criterion (EMIC). EMIC makes a significant impact on the combinatorial scalability issue pertaining to the model selection for mixture models having types of components. A goal of such problems is to optimize types of components as well as the number of components. One key idea in EM...