Ray Speth speth

Senior Research Scientist, MIT Department of Aeronautics & Astronautics; Associate Director, Laboratory for Aviation and the Environment

speth / jupyterhub

Last active August 17, 2018 19:48 — forked from kose-y/jupyterhub

Jupyterhub init.d script. Put this script in /etc/init.d

	#!/bin/bash
	### BEGIN INIT INFO
	# Provides:
	# Required-Start: $remote_fs $syslog
	# Required-Stop: $remote_fs $syslog
	# Default-Start: 2 3 4 5
	# Default-Stop: 0 1 6
	# Short-Description: Start daemon at boot time
	# Description: Enable service provided by daemon.
	### END INIT INFO

speth / gri30.yaml

Last active August 20, 2022 13:23

	description: \|-
	GRI-Mech Version 3.0 3/12/99 CHEMKIN-II format
	See README30 file at anonymous FTP site unix.sri.com, directory gri;
	WorldWideWeb home page http://www.me.berkeley.edu/gri_mech/ or
	through http://www.gri.org , under 'Basic Research',
	for additional information, contacts, and disclaimer

	units: {length: cm, time: s, quantity: mol, activation-energy: cal/mol}

	phases:

speth / equation-of-state.yaml

Created March 9, 2019 22:00

Reorganization of YAML species entries to replace "standard-state" entry

	PROPOSED: \|
	* a dedicated section for equation of state information
	* This section is optional if the phase doesn't need this information, e.g.
	the ideal gas phase which requires an ideal gas EOS for all species

	example-species:
	- name: KCl(s)
	composition: {K: 1, Cl: 1}
	thermo:
	model: NASA7

speth / RMG_PAH.yaml

Created March 12, 2019 18:42

YAML conversion of an RMG-generated mechanism

This file has been truncated, but you can view the full file.

	units: {length: cm, time: s, quantity: mol, activation-energy: kcal/mol}

	phases:
	- name: gas
	thermo: ideal-gas
	elements: [H, D, T, C, Ci, O, Oi, N, Ne, Ar, He, Si, S, Cl]
	species: [Ar, Ne, N2, He, O2, CO, CO2, CH4, C2H2-1, O, H, HO, HO2, H2,
	H2O, H2O2, C, CH, CHO, CHO2-1, CHO2-2, CHO3, CHO4, CH2-1, CH2-2, CH2O,
	CH2O2, CH3, CH3O-1, CH3O-2, CH3O2-1, CH3O2-2, CH4O, C2H, C2HO, C2HO2,
	C2H2-2, C2H2O-1, C2H2O-2, C2H2O-3, C2H3, C2H3O-1, C2H3O-2, C2H3O-3,

speth / ptcombust.yaml

Created March 12, 2019 18:45

YAML surface mechanism

	units: {length: cm, quantity: mol, activation-energy: J/mol}

	phases:
	- name: gas
	thermo: ideal-gas
	elements: [O, H, C, N, Ar]
	species:
	- gri30.yaml/species: [H2, H, O, O2, OH, H2O, HO2, H2O2, C, CH, CH2, CH2(S),
	CH3, CH4, CO, CO2, HCO, CH2O, CH2OH, CH3O, CH3OH, C2H, C2H2, C2H3,
	C2H4, C2H5, C2H6, HCCO, CH2CO, HCCOH, AR, N2]

speth / sofc.yaml

Created March 12, 2019 18:46

YAML electrochemical surface mechanism

	units: {length: cm, quantity: mol, activation-energy: kJ/mol}

	phases:
	- name: gas
	thermo: ideal-gas
	elements: [H, O, N]
	species:
	- gri30.yaml/species: [H2, H2O, N2, O2]
	transport: mixture-averaged
	state:

speth / build-fc35-b4616ef321.txt

Created April 4, 2022 14:29

Cantera FC35 build logs

	scons: Reading SConscript files ...
	INFO: SCons is using the following Python interpreter: /usr/bin/python3
	INFO: Building Cantera from git commit 'b4616ef32'
	INFO: Configuration variables read from 'cantera.conf' and command line:
	prefix = '/usr'
	libdirname = 'lib64'
	python_package = 'full'
	f90_interface = 'y'
	system_eigen = 'y'
	system_fmt = 'y'

speth / dummy_surf.py

Last active March 14, 2023 18:39

Test problem for reactor Jacobian with surface species

	import cantera as ct
	import numpy as np

	np.set_printoptions(precision=2, linewidth=144)

	surf = ct.Interface('dummysurf2.yml', 'surf')
	surf2 = ct.Interface('dummysurf2.yml', 'surf2')
	gas = surf.adjacent['gas']
	gas.TPX = 1000, 2e5, 'A:0.6, B:0.3, C:0.2, D:0.1'
	surf.coverages = 'A(S):0.1, B(S):0.2, C(S):0.3, D(S):0.2, (S):0.2'