Consistent Estimation of Gibbs Energy Using Component Contributions

Consistent Estimation of Gibbs Energy Using Component Contributions

Standard Gibbs energies of reactions are increasingly being used in metabolic modeling for applying thermodynamic constraints on reaction rates, metabolite concentrations and kinetic parameters. The increasing scope and diversity of metabolic models has led scientists to look for genome-scale solutions that can estimate the standard Gibbs energy of all the reactions in metabolism. Group contrib...

Multi-Component-Multiphase Flash Calculations for Systems Containing Gas Hydrates by Direct Minimization of Gibbs Free Energy

The Michelsen stability and multiphase flash calculation by direct minimization of Gibbs free energy of the system at constant temperature and pressure, was used for systems containing gas hydrates. The solid hydrate phase was treated as a solid solution. The fugacities of all components of the hydrate phase were calculated as a function of compositions by the rearranged model of van der Wa...

Consistent estimation using approximate likelihoods

Bayesian Estimation of a Meta-analysis model using Gibbs sampler

A hierarchical Bayesian model is investigated. This model can accommodate study heterogeneity in metaanalyses. The joint posterior distribution is derived by multiplying the likelihood and priors on this model. The conditional posterior distribution of all parameters is obtained for Gibbs sampler algorithm. A simulation study is then performed to demonstrate the validity of the Gibbs sampler in...

Estimation of Linear Systems using a Gibbs Sampler

This paper considers a Bayesian approach to linear system identification. One motivation is the advantage of the minimum mean square error of the associated conditional mean estimate. A further motivation is the error quantifications afforded by the posterior density which are not reliant on asymptotic in data length derivations. To compute these posterior quantities, this paper derives and ill...