Now showing items 1-17 of 17

• #### A big data framework to validate thermodynamic data for chemical species ﻿

(Elsevier, 2017-02-01)
The advent of large sets of chemical and thermodynamic data has enabled the rapid investigation of increasingly complex systems. The challenge, however, is how to validate such large databases. We propose an automated ...
• #### Compartmental residence time estimation in batch granulators using a colourimetric image analysis algorithm and Discrete Element Modelling ﻿

(2017-09-01)
In this paper we present an experimental technique and a novel colourimetric image analysis algorithm to economically evaluate particle residence times within regions of batch granulators for use in compartmental population ...
• #### Computational modelling in chemical engineering ﻿

(2008-08-27)
Computational modelling in chemical engineering: from science to technology
• #### Design technologies for eco-industrial parks: From unit operations to processes, plants and industrial networks ﻿

(2016-08-01)
• #### Detailed population balance modelling of TiO<$_{2}$ synthesis in an industrial reactor ﻿

(Elsevier, 2017-06-08)
This paper uses a network of ideal flow reactors and a detailed population balance model to study the evolution of the size and shape distributions of pigmentary titanium dioxide, formed under industrial synthesis conditions. ...
• #### Developing breakage models relating morphological data to the milling behaviour of flame synthesised titania particles ﻿

(2017-01-01)
© 2017 Elsevier Ltd A detailed population balance model is used to relate the reactor conditions of flame synthesised titanium dioxide particles to their milling behaviour. Breakage models are developed that utilise ...
• #### Extension of moment projection method to the fragmentation process ﻿

(2017-04-15)
© 2017 Elsevier Inc. The method of moments is a simple but efficient method of solving the population balance equation which describes particle dynamics. Recently, the moment projection method (MPM) was proposed and validated ...
• #### A kinetic mechanism for the thermal decomposition of titanium tetraisopropoxide ﻿

This work presents the first systematically derived and thermodynamically consistent mechanism to describe the thermal decomposition of titanium tetraisopropoxide (TTIP). The mechanism is based on an analogy between the ...
• #### Modelling TiO<inf>2</inf>formation in a stagnation flame using method of moments with interpolative closure ﻿

(2017-01-01)
• #### A moment projection method for population balance dynamics with a shrinkage term ﻿

(Elsevier, 2017-02-01)
A new method of moments for solving the population balance equation is developed and presented. The moment projection method (MPM) is numerically simple and easy to implement and attempts to address the challenge of particle ...

• #### Screening and techno-economic assessment of biomass-based power generation with CCS technologies to meet 2050 CO2 targets ﻿

(Elsevier, 2017-03-15)
Biomass-based power generation combined with CO2 capture and storage (Biopower CCS) currently represents one of the few practical and economic means of removing large quantities of CO2 from the atmosphere, and the only ...
• #### The Semantics of Chemical Markup Language (CML) for Computational Chemistry : CompChem ﻿

(2012-08-07)
• #### Simulation and Life Cycle Assessment of Algae Gasification Process in Dual Fluidized Bed Gasifiers ﻿

(Royal Society of Chemistry, 2015)
We present simulation results for the production of algae-derived syngas using dual fluidized bed (DFB) gasifiers. A global sensitivity analysis was performed to determine the impact of key input parameters (i.e. algae ...
• #### Skeletal chemical mechanism of high-temperature TEOS oxidation in hydrogen-oxygen environment ﻿

(2016-04-01)
• #### A systematic method to estimate and validate enthalpies of formation using error-cancelling balanced reactions ﻿

(Elsevier, 2018-01-01)
The Combustion Institute This paper presents an automated framework that uses overlapping subsets of reference data to systematically derive an informed estimate of the standard enthalpy of formation of chemical species ...
• #### Theoretical Study of the Ti-Cl Bond Cleavage Reaction in TiCl4 ﻿

(De Gruyter, 2017-09)
In this work the kinetics of the TiCl4 <=> TiCl3 + Cl reaction is studied theoretically. A variable-reaction coordinate transition-state theory (VRC-TST) is used to calculate the high-pressure limit rate coefficients. The ...