In this study, artificial neural network was used to predict the surface tension of 20 hydrocarbon mixtures. Experimental data was divided into two parts (70% for training and 30% for testing). Optimal configuration of the network was obtained with minimization of prediction error on testing data. The accuracy of our proposed model was compared with four well-known empirical equations. The arti...

Jun Zhang, Jiri Vala, Shankar Sastry, and K. Birgitta Whaley Department of Electrical Engineering and Computer Sciences, University of California, Berkeley, California 94720 Department of Chemistry and Pitzer Center for Theoretical Chemistry, University of California, Berkeley, California 94720 Mathematical Sciences Research Institute, 1000 Centennial Drive, Berkeley, California 94720 ~Received...

In this work, an electrolyte-UNIQUAC model was developed by replacement of Boltzmann weight binary interaction parameters by the nonextensive Tsallis weight. A summation of the long-range electrostatic term (Debye-Huckel equation) and a short-range interaction term were considered in the calculation of thermodynamic properties. A framework proposed by Chen and co-workers was employed for the de...

We conducted reversed deliquescence experiments in saturated NaCl–NaNO3 – H2O, KNO3 – NaNO3 – H2O, and NaCl–KNO3 – H2O systems from 90 to 120 °C as a function of relative humidity and solution composition. NaCl, NaNO3 , and KNO3 represent members of dust salt assemblages that are likely to deliquesce and form concentrated brines on high-level radioactive waste package surfaces in a repository e...

TOUGHREACT (Xu et al., 2006) is a generalpurpose reactive geochemical transport numerical simulator. It deals with multiphase flow, solute transport and geochemical reactions including aqueous complexation, mineral dissolution/ precipitation and cation exchange. Making use of an extended Debye-Hückel ion activity model, this simulator can handle solutions concentrated to slightly above ~1 molal...

Department of Marine Sciences, University of Gothenburg, Gothenburg, Sweden, GEOMAR Helmholtz Centre for Ocean Research, Kiel, Germany, Department of Oceanography, National Sun Yat-sen University, Kaohsiung, Taiwan, 4 School of Environmental Sciences, University of East Anglia, Norwich, UK, Centro Interdisciplinar de Energia e Ambiente, Instituto de Química, Universidade Federal da Bahia, Salva...

An extended Peng-Robinson equation of state (EPR-EOS) is used to model the vapor-liquid equilibrium (VLE) in systems containing (water + NaCl + CO2), (water + methanol + NaCl + CO2), (water + Na2SO4 + CO2) and (water + NH4Cl + CO2). The binary and ternary interaction parameters between salt and solvent are adjusted...

We conducted reversed deliquescence experiments in saturated NaCl–NaNO3 – H2O, KNO3 – NaNO3 – H2O, and NaCl–KNO3 – H2O systems from 90 to 120 °C as a function of relative humidity and solution composition. NaCl, NaNO3 , and KNO3 represent members of dust salt assemblages that are likely to deliquesce and form concentrated brines on high-level radioactive waste package surfaces in a repository e...