Mansoori, G.A., 1980. Molecular basis of activity coefficient (Isobaric-isothermal ensemble approach). Fluid Phase Equilibria, 4: 61-69. Through the application of isobaric-isothermal (NPT) ensemble theory, molecular relations for thermodynamic properties of mixtures are derived with pressure and temperature as the independent variables. Use of the NPT-ensemble approach has made it possible to ...

In this work heat and mass transfer in tubular asymmetric ceramic membranes suitable for applications in membrane reactors have been investigated. An experimental matrix has been employed to quantify the heat and mass transfer in the membrane, which leads to the identification and validation of respective parameters in a comprehensive and consistent manner. Two types of membranes have been inve...

In this paper we develop a Bayesian statistical inference approach to the unified analysis of isobaric labelled MS/MS proteomic data across multiple experiments. An explicit probabilistic model of the log-intensity of the isobaric labels' reporter ions across multiple pre-defined groups and experiments is developed. This is then used to develop a full Bayesian statistical methodology for the id...

In recent years, the biochemical study of lipids has transformed from slow multi-dimensional chromatographic separations and chemical derivatization strategies to higher throughput analysis by mass spectrometry. Advances in mass spectrometry have enabled in-depth lipidomic analyses with unparalleled qualitative and quantitative sensitivity. However, unambiguous identification and quantitation o...