Design of bio-oil additives via molecular signature descriptors using a multi-stage computer-aided molecular design framework

Author(s):  
Jia Wen Chong ◽  
Suchithra Thangalazhy-Gopakumar ◽  
Kasturi Muthoosamy ◽  
Nishanth G. Chemmangattuvalappil
2019 ◽  
Vol 123 ◽  
pp. 257-271 ◽  
Author(s):  
Angel Xin Yee Mah ◽  
Hon Huin Chin ◽  
Jie Qi Neoh ◽  
Omar Anas Aboagwa ◽  
Suchithra Thangalazhy-Gopakumar ◽  
...  

Processes ◽  
2021 ◽  
Vol 9 (12) ◽  
pp. 2159
Author(s):  
Jia Wen Chong ◽  
Lik Yin Ng ◽  
Omar Anas Aboagwa ◽  
Suchithra Thangalazhy-Gopakumar ◽  
Kasturi Muthoosamy ◽  
...  

A major obstacle in utilising pyrolysis bio-oil as biofuel is its relatively low heating value, high viscosity, and non-homogeneity. Solvent addition is a simple yet practical approach in upgrading pyrolysis bio-oil. However, most solvents are often manufactured as specialty chemicals, and thus, this leads to a high production cost of solvents. It is crucial for the designed solvent-oil blend to achieve both fuel functionality and economic targets to be competitive with the conventional diesel fuel. Hence, the objective of this work is to generate feasible solvent candidates by solving this multi-objective optimisation (MOO) problem via a computer-aided molecular design (CAMD) approach. Initially, an optimisation model was developed to identify potential solvents that satisfied the predefined targeted properties. Next, a MOO model was developed via a fuzzy optimisation approach to identify the trade-off between profitability and heating value of the solvent-oil blend. A pricing model was employed to estimate the profitability of the solvent-oil blend. The production of bio-oil in a pyrolysis plant was used to illustrate the applicability of the pricing model. Lastly, phase stability analysis was conducted to ensure the stability and miscibility of the solvent-oil blend. With the developed framework, a promising and cost-effective solvent-oil blend can be generated while displaying optimal biofuel properties.


Author(s):  
Hon Huin Chin ◽  
Angel Xin Yee Mah ◽  
Jie Qi Neoh ◽  
Omar Anas Aboagwa ◽  
Suchithra Thangalazhy-Gopakumar ◽  
...  

2020 ◽  
Vol 5 (8) ◽  
pp. 1391-1416
Author(s):  
Kirridharhapany T. Radhakrishnapany ◽  
Chee Yan Wong ◽  
Fang Khai Tan ◽  
Jia Wen Chong ◽  
Raymond R. Tan ◽  
...  

The design of fragrant molecules by combining rough set theory with property prediction models on a molecular signature platform.


2006 ◽  
Vol 61 (4) ◽  
pp. 1247-1260 ◽  
Author(s):  
Arunprakash T. Karunanithi ◽  
Luke E.K. Achenie ◽  
Rafiqul Gani

2017 ◽  
Vol 56 (37) ◽  
pp. 10413-10427 ◽  
Author(s):  
Joon Yoon Ten ◽  
Lik Yin Ng ◽  
Mimi H. Hassim ◽  
Denny K. S. Ng ◽  
Nishanth G. Chemmangattuvalappil

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