Towards an understanding of the propensity for crystalline hydrate formation by molecular compounds

نویسندگان

  • Alankriti Bajpai
  • Hayley S. Scott
  • Tony Pham
  • Kai-Jie Chen
  • Brian Space
  • Matteo Lusi
  • Miranda L. Perry
  • Michael J. Zaworotko
چکیده

Hydrates are technologically important and ubiquitous yet they remain a poorly understood and understudied class of molecular crystals. In this work, we attempt to rationalize propensity towards hydrate formation through crystallization studies of molecules that lack strong hydrogen-bond donor groups. A Cambridge Structural Database (CSD) survey indicates that the statistical occurrence of hydrates in 124 molecules that contain five- and six-membered N-heterocyclic aromatic moieties is 18.5%. However, hydrate screening experiments on a library of 11 N-heterocyclic aromatic compounds with at least two acceptor moieties and no competing hydrogen-bond donors or acceptors reveals that over 70% of this group form hydrates, suggesting that extrapolation from CSD statistics might, at least in some cases, be deceiving. Slurrying in water and exposure to humidity were found to be the most effective discovery methods. Electrostatic potential maps and/or analysis of the crystal packing in anhydrate structures was used to rationalize why certain molecules did not readily form hydrates.

برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

ثبت نام

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

منابع مشابه

Experimental Investigation of Natural Gas Components During Gas Hydrate Formation in Presence or Absence of the L-Tyrosine as a Kinetic Inhibitor in a Flow Mini-loop Apparatus

Hydrates are crystalline compounds similar to ice, with guest molecules like methane and ethane trapped inside cavities or cages formed by the hydrogen bounded framework of water molecules. These solid compounds give rise to problems in the natural gas oil industry because they can plug pipelines and process equipments. Low dosage hydrate inhibitors are a recently developed hydrate control tech...

متن کامل

Towards a fundamental understanding of natural gas hydrates.

Gas clathrate hydrates were first identified in 1810 by Sir Humphrey Davy. However, it is believed that other scientists, including Priestley, may have observed their existence before this date. They are solid crystalline inclusion compounds consisting of polyhedral water cavities which enclathrate small gas molecules. Natural gas hydrates are important industrially because the occurrence of th...

متن کامل

Formation of Hydrates from Single-Phase Aqueous Solutions and Implications for Oceanic Sequestration of CO2

Gas hydrates are crystalline solids formed from mixtures of water and low molecular weight compounds, referred to as hydrate formers, that typically are gases at ambient conditions (1). Generally, hydrates are formed in the laboratory from two-phase systems by contacting a hydrate former or formers in the gas or liquid phase with liquid water and increasing the pressure until crystalline hydrat...

متن کامل

Predicting the Hydrate Formation Temperature by a New Correlation and Neural Network

Gas hydrates are a costly problem when they plug oil and gas pipelines. The best way to determine the HFT and pressure is to measure these conditions experimentally for every gas system. Since this is not practical in terms of time and money, correlations are the other alternative tools. There are a small number of correlations for specific gravity method to predict the hydrate formation. As th...

متن کامل

Kinetics of Propane Hydrate Formation in Agitated Reactor: A Mass Transfer Approach

Understanding the kinetics of gas hydrate formation is essential to model and predict the hydrate formation (or dissociation) process. In the present paper, we investigated the formation of pure propane gas hydrate as a former gas. In this regard, several experiments were conducted to measure the rate of hydrate formation under various pressures (410 to 510 kPa) and temperatures (274 K to 277 K...

متن کامل

ذخیره در منابع من


  با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید

برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

ثبت نام

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

عنوان ژورنال:

دوره 3  شماره 

صفحات  -

تاریخ انتشار 2016