(562y) Theoretical Modelling and Experimental Validation of Neutralization Reaction of Acidic Spillover By Calcium Hydroxide [Ca(OH)2] and Sodium Bicarbonate [NaHCO3]

Jung, H. - Presenter, Yonsei Uinversity
Ryu, B. H., Korea Research Institute of Chemical Technology
Han, B., Yonsei University
In modern society, industrial manufacture and distribution of various chemicals flourished our life and economy. However, when hazardous chemical is accidentally released from the storage, the consequence can inflict casualties and huge economic damage. Therefore, it is of importance to prepare possible accidents with appropriate safety manual. In this study, we theoretically model and experimentally validate neutralization reaction of four archetype acids (hydrogen chloride, hydrogen nitrate, sulfuric acid, and hydrogen fluoride) using two alkaline agents (calcium hydroxide [Ca(OH)2] and sodium bicarbonate [NaHCO3]). The batch reaction was modelled using PHREEQC interfaced within MATLAB and equilibrium solution was simulated as alkaline agent is incrementally titrated. Total heat and final temperature from the modelling were compared with the experimental results: Neutralization 3 M of acid solutions with equivalent amount of alkaline agent. The modelling result showed remarkable accuracy of R2=0.96 with respect to experiment. NaHCO3 rather lowered the solution temperature because of its characteristic neutralization heat and endothermic dissolution and CO2 evolution which imparts NaHCO3 as almighty alkaline agent for any acid. This work can be further applied to higher concentration where experiment is restricted due to violent reactivity and aid the safety remedy for chemical accident involving acid chemicals.