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1 May 2019: New aluminium species have beenproposed through automated species generation and investigated using ab initio and DFTmethods of computational quantum chemistry. ... C. Handy. Development andassessment of new exchange-correlation functionals. J. Chem. Phys

1 May 2019: In order to create a more complete chemicaldatabase, a new approach is required. ... Figure 3(b) shows theequilibrium results for that system including these new species.

1 May 2019: palm oil freight rates may fall on weak demand, 2013.URL ... B. Robinson. A new two-constant equation ofstate. Industrial & Engineering Chemistry Fundamentals, 15(1):59–64, 1976.doi:10.1021/i160057a011.

1 May 2019: New species. •. The algorithm on the previous slide produced over 300 possible species. •. ... TiCl3. OH is the most abundant new species. Raphael Shirleyras81@cam.ac.uk.

1 May 2019: appended with the proposed processes (new model) are variedwithin an order of magnitude. ... A new sequence of reactions forthe H-mediated desorption of C2H2 has been suggested.

1 May 2019: monomers. A new kinetic model for TEOS decomposition is coupled to a detailed population balance model to simulate an industrial scale reactor. ... By coupling a new detailed kinetic model, generated from quantum chemical calculations, to a new

1 May 2019: New Exercise. • New exercise in Process Dynamics and Control. • Replaced a pen and paper exercise. • ... Exercises. New Exercise. Assignment. 1. Preparation. 2. Experimentalsession. Interface. Chat. 3.

1 May 2019: Parameter estimation and statistical analysis of anew model for silicon nanoparticle synthesis. W.J. Menz, G.P.E. Brownbridge, M. Kraft. Computational Modelling GroupDepartment of Chemical Engineering and Biotechnology. University of Cambridge. 31

1 May 2019: PqPr Ps. Figure: Coagulation between two particles. Coagulation of particles Pq and Pr forms new particle Ps as:. ... Complete sintering. pi and pj replaced by new primary p′′k. Particle transforms due to complete sintering as:.

1 May 2019: Application of stochastic particle methods in problems with spatial inhomogeneity is relatively new. • ... It is found that the new algorithms provide significant numerical stability (e.g.