We present a general framework to predict the excess solubility of small molecular solids (such as pharmaceutical solids) in binary solvents via molecular simulation free energy calculations at ...

Recently, the applications of supercritical fluids (SCF) as a substitution of organic solvents in several conventional reaction, extraction and crystallization processes have gained attention due to ...

Article Views are the COUNTER-compliant sum of full text article downloads since November 2008 (both PDF and HTML) across all institutions and individuals. These metrics are regularly updated to ...

1 Department of Oncology, The University Hospital in Cracow, Cracow, Poland. 2 Department of Analytical Chemistry, Technical University of Cracow, Cracow, Poland. The ...

In this paper, the solubility of NaCl in water is evaluated by using computer simulations for three different force fields. The condition of chemical equilibrium (i.e., equal chemical potential of the ...

Creative Commons (CC): This is a Creative Commons license. Attribution (BY): Credit must be given to the creator. The solubility of molecular crystals is of interest in many areas of chemistry, of ...

1 Department of Oncology, The University Hospital in Cracow, Cracow, Poland 2 Department of Analytical Chemistry, Technical University of Cracow, Cracow, Poland ...